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AI in Drug Discovery

Announcement: Due to ongoing concerns over COVID-19 we wanted to reassure all attendees that this event is still going ahead. However, if you or your company has changed its travel and attendance policy relating to this matter, we are able to grant remote/virtual access. Please contact a member of the SAE Media Group Team for more information customerservices@SAE Media Group-online.co.uk

SAE Media Group presents the launch of the inaugural AI in Drug Discovery conference taking place in London on 16th-17th March, 2020.

AI-empowered machine learning technologies hold the potential of reducing drug discovery associated costs by US$ 70 billion in the upcoming 10 years. With an estimated +39% CAGR, AI in drug discovery is leading the way into a shorter, cheaper and more successful R&D era where compound generation is automated, drug synthesis is predictable and undruggable diseases are finally being targeted.

 The presence of AI in drug discovery is tangible with the majority of drug discovery scientist already working with AI-enabled platforms using machine learning and deep learning, neural networks and natural language processing. However, there is a long journey ahead of optimizing AI-human connections and understanding the full potential of AI-enabled tools and platforms.

Those who work in the field know that there is no AI revolution without tackling the field’s number one challenge: DATA. It is crucial now more than ever to come together and discuss strategies to achieve data revolution for further advancing R&D.

Join us at SAE Media Group’s inaugural AI in Drug Discovery 2020 Conference and explore the latest AI-enabled approaches for lead compound screening, multi parameter optimization, disease modelling, drug synthesis and design.

FEATURED SPEAKERS

Alexander Hillisch

Alexander Hillisch

Head of Computational Molecular Design , Bayer
Andrea Pierleoni

Andrea Pierleoni

Head of Artificial Intelligence, Healx Limited
Andreas Bender

Andreas Bender

Group Leader for Data-Driven Drug Disocvery , University of Cambridge
Andrew Leach

Andrew Leach

Head of Chemistry Services, EMBL-EBI
Benjamin Tehan

Benjamin Tehan

Director, OMass Therapeutics
Bilal Nizami

Bilal Nizami

Application Scientists, ChemAxon
Christian Tyrchan

Christian Tyrchan

Associate Director - Computational Chemistry, AstraZeneca Sweden
Darren Green

Darren Green

Director of Molecular Design, GSK
Friedemann Schmidt

Friedemann Schmidt

Head of Computational and System's Toxicology , Sanofi
Friedrich Rippmann

Friedrich Rippmann

Director, Global Computational Chemistry & Biology, Merck
Gerhard Hessler

Gerhard Hessler

Head of Synthetic Molecular Design, Sanofi
Govinda  Bhisetti

Govinda Bhisetti

Head of Computational Chemistry, Biogen
Graham Smith

Graham Smith

Team Leader, Data Science and Artificial Intelligence , AstraZeneca
John  Overington

John Overington

Chief Informatics Officer, Medicines Discovery Catapult
Jonny Wray

Jonny Wray

Head of Discovery Informatics, e-Therapeutics PLC
Quentin Perron

Quentin Perron

Co-Founder & CSO, Iktos
Robert Young

Robert Young

Principal , Blue Burgundy (Drug Discovery Consulting) Ltd
Stephen  Pickett

Stephen Pickett

Scientific Director, Computation Sciences, GSK
Vishal Sahni

Vishal Sahni

Director, Discovery Research, MSD
Willem Van Hoorn

Willem Van Hoorn

Chief Decision Scientist, Exscientia

Alexander Hillisch

Head of Computational Molecular Design , Bayer
Alexander Hillisch

Alexander Hillisch is a Vice President and Head of Computational Molecular Design at Bayer AG, Wuppertal, Germany. His team supports small molecule and biologics drug discovery in cardiology with computational chemistry, chemoinformatics, machine learning, in silico ADMET and structural bioinformatics techniques.
From 1998 to 2003 he headed a research group at EnTec GmbH, Jena, Germany, a subsidiary of Schering AG, Berlin. There he was project manager in preclinical research and involved in the computer-aided design and pharmacological characterization of drugs against gynecological diseases and cancer.
He conducted his Ph.D. thesis at the Institute of Molecular Biotechnology (IMB), Jena in the area of biophysics (NMR, FRET) and molecular modeling. Alexander Hillisch received his Ph.D. in Biochemistry with Prof. Peter Schuster in 1998 and his diploma in Pharmacy in 1995 from the University of Vienna, Austria.
He is co-author of 44 research papers, 2 books and 62 pharmaceutical compound patents which led to 6 clinical development candidates. Alexander teaches “Molecular pharmacology and Drug Design” at the University of Cologne from which he received a honorary professorship in 2010.

Andrea Pierleoni

Head of Artificial Intelligence, Healx Limited
Andrea Pierleoni

Andrea Pierleoni is Head of Artificial Intelligence at Healx a next-generation biotech using the latest advancements in AI to discover life-changing treatments for rare disease patients.
Andrea has 15 years experience in applying machine learning techniques on biomedical big data to deliver novel solutions for drug discovery both in academia and industry. Before joining Healx he played a key role in the development of the Open Targets Platform, a precompetitive target discovery effort between several large Pharma companies and leading academic institutions.
Andrea has a degree in Pharmaceutical Biotechnology and a PhD in Computational Biology from the University of Bologna.

Andreas Bender

Group Leader for Data-Driven Drug Disocvery , University of Cambridge
Andreas Bender

Dr Andreas Bender is a Reader for Molecular Informatics with the Centre for Molecular Science Informatics at the Department of Chemistry of the University of Cambridge, leading a group of about 22 postdocs, PhD and graduate students and academic visitors. In his work, Andreas is involved with the integration and analysis of chemical and biological data, aimed at understanding phenotypic compound action (such as cellular readouts, and also organism-level effects) on a mechanistic level, predicting molecular properties related to both compound effiacy and toxicity, as well as drug repurposing. He received his PhD from the University of Cambridge and worked in the Lead Discovery Informatics group at Novartis in Cambridge/MA as well as at Leiden University in the Netherlands before his current post. In 2013 he was awarded an ERC Starting Grant to model mixture effects of chemical structures in biological systems using mechanistic approaches, an area currently very little understood.

Andrew Leach

Head of Chemistry Services, EMBL-EBI
Andrew Leach

Andrew's initial research was in the field of computational chemistry at Oxford University, UCSF and the University of Southampton. In 1994 he joined GlaxoSmithKline where over the next >20 years he was involved in the development and application of new platform capabilities for drug discovery in areas including computational chemistry and cheminformatics, fragment-based drug discovery, cardiovascular safety, proteomics and biological mass spectrometry. He also contributed to multiple therapeutic projects and led GSK’s early Discovery portfolios against protease, ion channel and epigenetic targets. He is currently Head of Chemistry Services at the European Bioinformatics Institute where his responsibilities include the EBI’s chemogenomics resources (ChEMBL, SureChEMBL), other biologically relevant small molecules and metabolomics.

Benjamin Tehan

Director, OMass Therapeutics
Benjamin Tehan

Benjamin Tehan completed his PhD in Computational/Medicinal Chemistry at MIPS (Monash Institute of Pharmaceutical Sciences) in 2003, which included a sabbatical in Cambridge at Celltech Pharmaceuticals where, as part of his PhD, Ben first worked on machine learning and deep learning methodologies applied to common pharmaceutical problems. Benjamin then spent almost the next 7 years as part of the 7TM group within the computational chemistry department of GlaxoSmithKline, Harlow, primarily supporting the Pain and Neuroscience CEDDs. In 2009 Benjamin left GSK and moved to Heptares Therapeutics, to continue his love affair with G protein-coupled receptors. During his time at Sosei Heptares Benjamin established and led the Cheminformatics Department. In 2019 Benjamin left Sosei Heptares to head up the Computational Chemistry department of OMass Technologies where he currently overseas all aspects from machine learning to structure & ligand-based drug design.

Bilal Nizami

Application Scientists, ChemAxon
Bilal Nizami

Bilal Nizami received his PhD in 2017 from UKZN, Durban, South Africa. His PhD studies were focused on molecular modeling of Non-Nucleotide Reverse Transcriptase Inhibitors (NNRTIs). After this Bilal worked as postdoctoral researcher in Rhodes University (South Africa), and Hungarian Academy of Sciences (Budapest), where he mainly worked on database development and programming. He has interest is in wide areas such as computational chemistry, cheminformatics, bioinformatics, machine learning, data science, and molecular modelling etc.

Bryn Williams-Jones

Director of Exploratory Research, Benevolent AI
Bryn Williams-Jones

Bryn spent nearly 20 years at Pfizer in a number of different roles in multiple therapeutic areas, where he lead data-driven exploratory target hypothesis generation for provision of impactful insights to early drug discovery target identification. Bryn championed a pre-competitive and collaborative approach to using data in early drug discovery, including working with researchers from multiple different drug companies to build a better understanding in the wider scientific community of the unique needs of using data for drug discovery research.

Bryn is Director of Exploratory Research at BenevolentAI, a leading AI company developing and applying advanced technologies to accelerate the journey from data to medicine. He is responsible for building and progressing a broad portfolio of new drug programmes in multiple disease ares through the application of BenevolentAI’s tech tools and platforms. In addition, Bryn is a founder and CEO of the Open PHACTS Foundation, which began as an Innovative Medicines Initiative (IMI) project.

Chris De Graaf

Director, Head of Computational Chemistry, Sosei Heptares
Chris De Graaf

Dr. Chris de Graaf is Head of Computational Chemistry at Sosei Heptares, an international biopharmaceutical group focused on the design and development of new medicines originating from its proprietary GPCR-targeted StaR® technology and Structure-Based Drug Design platform capabilities (www.soseiheptares.com). In this role Chris is leading the development and application of structural cheminformatics and computer-assisted drug design approaches across the GPCRome to help Sosei Heptares advance a broad and deep pipeline of partnered and in-house drug candidates in multiple therapeutic areas including neurology, immuno-oncology, gastroenterology, inflammation and rare/specialty diseases.

Christian Tyrchan

Associate Director - Computational Chemistry, AstraZeneca Sweden
Christian Tyrchan

Christian received his PhD in Chemistry from the Department of Biochemistry in Cologne, with specialization in Pharmacology and Biochemistry. After joining AstraZeneca, he held different computational chemistry roles, contributing to drug discovery projects and building chemoinformatic as machine learning capabilities across the company. He is currently leading the Early RIA Computational Chemistry team and has a keen interest in the application of computational methods and chemoinformatics to drug development.

Clayton Rabideau

Founder , SynTensor
Clayton Rabideau

Darren Green

Director of Molecular Design, GSK
Darren Green

Darren Green is Director of Molecular Design and Senior Fellow, GlaxoSmithKline. Based at Stevenage, his group specialises in the application of molecular design, machine learning, predictive modelling and chemoinformatics methods to drug discovery. Darren also leads the Compound Collection Enhancement strategy for GSK.
Darren has a PhD in Theoretical Chemistry from the University of Manchester. He is a Fellow of the Royal Society of Chemistry and chair of the Advisory Board for the Hartree Centre, the UK national laboratory for high performance computing, simulation and cognitive science.

Florian Mrugalla

Scientist Industrial Mathematics, Bayer AG
Florian Mrugalla

After my M.Sc. in chemical biology I obtained my Ph.D in computational chemistry in the group of Prof. Dr. Stefan M. Kast, working on novel statistical mechanics and machine-learning based methods to describe protein-ligand interactions (until 2017).
I followed up on this with a post-doctoral position at Bayer where I worked in the interdisciplinary project: AI4Synthesis. Here, I was mainly involved in the development of machine-learning based models to predict the outcome of chemical reactions and the implementation and development of a retrosynthesis tool within Bayer (2018-2019).
Beginning from 2020 I will be a “scientist industrial mathematics” in the Applied Mathematics group within Bayer.
 

Friedemann Schmidt

Head of Computational and System's Toxicology , Sanofi
Friedemann Schmidt

Friedemann Schmidt received his Ph.D. in 2001 for Physical and Computational Chemistry from the
Technical University of Darmstadt in Germany. In 2001 he started his career as Research Scientist in Chemoinformatics at Aventis Pharma. Since 2004 he held different positions of increasing responsibility at Sanofi R&D, in Computer-Aided Drug Design and recently in Preclinical Safety. In 2015 he was appointed Head of Computational and Systems Toxicology at Sanofi.
Throughout his career he put his focus on predictive computational methods, namely in the field of toxicology. He has been authoring numerous articles and chapters and has been leading technology and discovery teams in the fields of diabetes, osteoarthritis, cardiovascular and respiratory diseases.

Friedrich Rippmann

Director, Global Computational Chemistry & Biology, Merck
Friedrich Rippmann

Friedrich Rippmann is Director of Computational Chemistry & Biology at Merck in Darmstadt, Germany. Previously he was head of Bio- and Chemoinformatics at Merck, with responsibility for groups in Germany, France and Switzerland. He was also responsible for the set-up of bioinformatics and protein crystallography in Darmstadt.
In his academic career he worked at the National Institute for Medical Research, MRC London, and at the German Cancer Research Center in Heidelberg, Germany.
Several major software developments originated in his group, among them RELIBASE, a comprehensive database of protein-ligand complexes; and more recently DoGSite Scorer, a druggability prediction server; TRAPP, a webtool for analysis of transient binding pockets in proteins; and a panel of methods for selective kinase inhibitor generation. Currently he is working on digitizing many aspects of the early discovery research, including the integration into coherent workflows. Machine Learning, especially Deep Learning, and other aspects of Artificial Intelligence are central to this. Two recent press releases highlight his commitment to making latest AI technologies available to Merck’s drug discovery process.

Gerhard Hessler

Head of Synthetic Molecular Design, Sanofi
Gerhard Hessler

Dr. Gerhard Hessler is head of Synthetic Molecular Design at Sanofi in Frankfurt. He is responsible for a team of medicinal chemists, computer-based drug design, structural biology and data management. Before, he headed teams in computer-aided drug design and structural biology since 2008. He joined Aventis in 2001 as a computational chemist, after working for four years in the computational chemistry group of the Central Research at Bayer AG.
Dr. Gerhard Hessler did his Ph.D. at Technical University of Munich in NMR-based conformational analysis of biologically active peptides and oligonucleotides. During his industrial career the main focus of his work is the application of ligand- and structure-based design techniques to the development of drugs.

Govinda Bhisetti

Head of Computational Chemistry, Biogen
Govinda  Bhisetti

Govinda Bhisetti is a Principal Investigator and Head of Computational Chemistry department at Biogen since 2014. Previously, he worked at Vertex Pharmaceuticals for 22+ years where he led drug design efforts on several drug discovery projects. His research at Vertex led to the discovery of three FDA approved drugs: Agenerase, Lexiva and Incivek. He is a co-inventor of these drugs and named inventor on 26 patents. He has also published 72 research papers including review articles and book chapters. His current activities include application of state of the art computational methods in the discovery of novel drugs for CNS diseases.

Graham Smith

Team Leader, Data Science and Artificial Intelligence , AstraZeneca
Graham Smith

Graham F. Smith, PhD CChem FRSC, is currently team leader of computational safety and DMPK, Drug Safety and Metabolism, AstraZeneca, Cambridge, UK. He is active scientifically in the areas of chemical toxicology, DMPK, AI, small molecule lead discovery, chemical technologies and medicinal chemistry. His previous roles were as director medicinal chemistry at Merck in Boston, head of chemical technologies at Pfizer in Sandwich and as a senior scientist at Sanofi, London. He graduated from the University of Nottingham with BSc and Ph.D. with Prof. Gerry Pattenden and completed post-doctoral studies at the Ohio State University with Prof. Leo Paquette.

John Overington

Chief Informatics Officer, Medicines Discovery Catapult
John  Overington

John studied Chemistry and then completed a PhD in protein modelling and sequence-structure relationships, he then joined Pfizer,leading the Molecular Informatics Structure and Design department. This was followed by Inpharmatica, where he led the development of a series of computational and data platforms to improve drug discovery. In 2008 John was central to the transfer of this technology to the EMBL-EBI, as the ChEMBL database. John then joined Artificial Intelligence technology company - Stratified Medical (later renamed BenevolentAI), applying machine learning to the development of biomedical data extraction and integration strategies. In 2017 John joined the Medicine Discovery Catapult as CIO, where he leads the development and application of informatics approaches to promote and support application of informatics to drug discovery.

Jonathan Mason

Senior Research Fellow, Sosei Heptares
Jonathan Mason

Dr Jonathan S Mason is a Senior Research Fellow at Sosei Heptares for GPCR structure-based drug design and a Scientific Advisor to several innovative biotech companies (US, UK, Japan). He has four decades years of global pharmaceutical drug discovery experience and is an experienced leader and scientific expert for drug design technologies (computational medicinal chemistry / CADD, structural biology, in silico ADME/tox etc). He previously led teams involving computational chemistry and structural biology/chemistry at Lundbeck (Denmark, Divisional Director), Pfizer (UK, Executive Director MISD), Bristol-Myers Squibb (US, Director Structural Biology & Modeling) and Rhône-Poulenc Rorer (now Sanofi) in the UK, France and USA, including an initial 5 years as a medicinal chemist. He completed his PhD at Queen Mary, U. London and become an early pioneer of the use of computational chemistry / CADD approaches in drug discovery research. More recent focus includes enhancing computer-assisted drug design with full binding site water networks and their energetics for potency, selectivity and kinetics and the prediction of binding affinity (FEP).

Jonny Wray

Head of Discovery Informatics, e-Therapeutics PLC
Jonny Wray

Jonny Wray is Head of Discovery Informatics at e-therapeutics where he has been responsible for the conceptual development of their network driven drug discovery approach, and the design and implementation of the software platform embodying that approach. Jonny has over 30 years’ experience in developing and applying computational approaches to complex biological problems, both in academia and the drug discovery industry.

Phil Cox

Senior Principal Research Scientist, Cheminformatics Group Leader, Abbvie
Phil Cox

Quentin Perron

Co-Founder & CSO, Iktos
Quentin Perron

Quentin Perron is a medicinal chemist by training. He holds a PhD in organometallic chemistry from
the University of Geneva. As a postdoc at UCLA he worked on the total synthesis of
Brasillicardin A, a complex natural product having a potent immunosuppressive activity.
After working as medicinal chemist at Laboratoires Servier, he switched to data
science and chemoinformatics at Quinten, a company specialized in data science services. In 2016,
with his business partners Yann Gaston-Mathé and Nicolas Do Huu, he co-founded Iktos, a start-up
company developing AI technologies for new drug design. He is now the CSO of the company.
 

Robert Young

Principal , Blue Burgundy (Drug Discovery Consulting) Ltd
Robert Young

Rob Young joined Wellcome on Valentine’s day 1990, after completing his undergraduate and D.Phil studies at University of Oxford and Post Doc at Ben May Institute, University of Chicago. His industrial career navigated many changes, mergers and acquisitions, charting significant contributions to six development candidates before moving to early stage discovery.
Productive partnership with Alan Hill (Physical Properties) culminated in the establishment of Chrom logD and PFI as GSK standards. Author/inventor on approaching 100 publications/ patent applications and visiting Professor, University of St Andrews.
Rob took early retirement from GSK in July 2019 and set up Blue Burgundy Consulting.

Stephen Pickett

Scientific Director, Computation Sciences, GSK
Stephen  Pickett

Dr Stephen Pickett is a Scientific Director within the Computational Sciences department, based in Stevenage. He has a degree and PhD in Chemistry and over 25 years’ experience in computational chemistry and cheminformatics applied to drug discovery at Rhone Poulenc, Roche and GSK. Since joining GSK in 2001 he has been involved in a number of initiatives including screening collection design, HTS data analysis, compound attrition, fragment based drug discovery and, most recently, has been developing the science and platforms for automated molecule generation and design. He is an author of over 50 peer-reviewed scientific articles and is a named author on six patent applications. In 2016 he was elected a GSK Fellow.

Thomas Steinbrecher

Director, Applications Science, Europe, Schrodinger
Thomas Steinbrecher

Thomas Steinbrecher studied Chemistry at the University of Freiburg in Germany and earned a diploma with distinction in Physical Chemistry. He completed a Ph.D. thesis on “Computer Simulations of Protein-Ligand Interactions” in 2005. He joined the developer team of the Amber MD package as a Postdoc at the Scripps Research Institute in San Diego and Rutgers University in New Jersey. The work focus was on efficient free energy calculation methods and QM/MM simulations of charge transfer. After returning to Germany in 2008, Thomas established a junior research group at the Karlsruhe Institute of Technology, working on fast electron transfer phenomena in DNA and proteins. He joined Schrodinger in 2013 where he is responsible for the large scale application of free energy calculation methods in pharmaceutical drug design. He currently heads the Applications Science Department for Europe.

Vishal Sahni

Director, Discovery Research, MSD
Vishal Sahni

Vishal is a Director of Discovery Research and a member of the global Neuroscience R&D Leadership Team at MSD where his group is focussed on developing treatments for age-related diseases. He has a keen interest in catalysing insights from human genetics to develop novel drugs for stratified patient populations and in applying machine learning and artificial intelligence approaches to drug discovery and development. Over the last 10 years, Vishal led teams at several stages of the drug discovery, development and commercialisation value chain, initially at Eisai and subsequently at GSK, working across Europe, the United States and Asia to support the development of small molecule-, biologics- and gene therapy-medicines.

Vishal holds a PhD in Developmental Neurobiology from University College London, a Master’s degree in Experimental Neuroscience from Imperial College London and a Bachelor’s degree in Biomedical Science from King’s College London.
 

Willem Van Hoorn

Chief Decision Scientist, Exscientia
Willem Van Hoorn

Willem van Hoorn gained an MEng in chemical engineering and a PhD in computational chemistry at the University of Twente, the Netherlands followed by a postdoc at Yale with Bill Jorgensen. He subsequently spent a decade at Pfizer Sandwich focusing on computational techniques for HTS triage and combinatorial library design. This was followed by a position as an IT consultant at Accelrys (now Biovia) assisting a range of clients from small biotech to big pharma. Since 2013 he is pursuing his long term interest of applying computer algorithms to drug discovery at Exscientia.

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Conference agenda

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8:30

Registration & Coffee

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9:00

Opening Remarks

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9:10

Optimizing the application of predictive methods for improving drug design – the machine side of things

• Exploring how machine and scientist can work together to achieve best results
• Deep dive into currently available methods and where can they be integrated into the drug design process
• Reviewing successful employments of predictive methods into drug design – what can we learn from the past and where will things develop in future?
• Looking at computational predictions within and beyond the Rule of 5
• Working through industry examples to reveal predictive methods’ strengths and pitfalls
 

 

Robert Young

Robert Young, Account Manager, Blue Burgundy Ltd

Phil Cox

Phil Cox, Senior Principal Research Scientist, Cheminformatics Group Leader, Abbvie

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10:30

Morning Coffee

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11:00

Optimizing the application of predictive methods for improving drug design – the scientist side of things

• Understanding what the key properties are the impact of the ones that really matter
• Comparing traditional prediction methods vs machine-enabled methods – on the way to an optimal balance
• Assessing the risks of sub-optimal molecules
• How can progress be quantified?

Robert Young

Robert Young, Account Manager, Blue Burgundy Ltd

Phil Cox

Phil Cox, Senior Principal Research Scientist, Cheminformatics Group Leader, Abbvie

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11:50

Closing Remarks

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12:00

End of Workshop

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8:30

Registration & Coffee

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9:00

Chair's Opening Remarks

Darren Green, Director of Molecular Design, GSK

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9:10

Where is the Drug Discovery field heading in 2020? – an industry outlook

Stephen Pickett, Scientific Director, Computation Sciences, GSK

• Reviewing the challenges for pharmaceutical R&D
• Highlighting the opportunities for machine learning
• Showing examples of progress
• Discussing obstacles that need to be overcome

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9:40

AI in Drug Safety and Metabolism

Graham Smith, Team Leader, Data Science and Artificial Intelligence , AstraZeneca

• Machine Learning and Deep Learning are now commonplace in drug discovery
• There is great value in property and activity predictions available at the point of design
• We will compare the performance of newer AI methods on real world data
• AI is used to enhance many safety outcome measures

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10:10

Morning Coffee

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10:40

Chemists and computers in harmony: how to surf the wave?

Robert Young, Principal , Blue Burgundy (Drug Discovery Consulting) Ltd

• Drug Discovery is a game of establishing facts, recognising patterns and following principles.
• A chemist’s eyes, skill and experience can be augmented by good design and prediction.
• Don’t place your faith in models or models of models; treat/interpret data with caution.
• Compound quality is a destination not a journey.

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11:10

Schrödinger-ANI – a Neural Network Potential Energy Function for Drug Design

Thomas Steinbrecher, Director, Applications Science, Europe, Schrodinger

  • Neural networks have emerged as exciting alternatives to fixed-form potential energy functions such as molecular mechanics force fields in computational chemistry applications.
  •  We describe the development of the Schrödinger-ANI potential with near complete coverage of drug-like chemical space.
  •  The performance of Schrödinger-ANI in common computational drug discovery applications will be discussed.
     
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    11:50

    Integration of AI in drug design: Strategies and challenges

    Christian Tyrchan, Associate Director - Computational Chemistry, AstraZeneca Sweden

    • Augmented Drug Design is here
    • Application of AI in Drug Design
    • Case studies from AstraZeneca
    • Future outlook: Drugs in days?

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    12:20

    Networking Lunch

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    13:20

    How does AI enable De Novo design of Novel compounds that are synthesizable?

    Govinda Bhisetti, Head of Computational Chemistry, Biogen

    • Exploiting the role of AI in understanding what can and cannot be synthesized
    • Addressing the need for AI-enabled methods in exploring more favorable reaction routes for drug synthesis
    • Highlighting future strategies of employing AI for improved chemical assembly
     

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    13:50

    Artificial intelligence in compound design

    Gerhard Hessler, Head of Synthetic Molecular Design, Sanofi

    • Artificial intelligence and machine learning offer significant potential for compound optimization
    • Artificial intelligence can systematically exploit available data for compound design by property prediction
    • Different machine learning approaches will be compared
    • AI-based de novo design will be discussed

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    14:20

    Development of an AI guided retrosynthesis tool in industry: successes, challenges, and opportunities

    Florian Mrugalla, Scientist Industrial Mathematics, Bayer AG

    • Introducing the principles of applying machine learning for chemical synthesis
    • Updating on the field’s biggest challenges
    • Using internal data: pitfalls and opportunities

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    15:10

    Afternoon Tea

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    15:40

    Deep / Machine Learning in Early Drug Safety Assessment

    Friedemann Schmidt, Head of Computational and System's Toxicology , Sanofi

    • This talk will be outlining the potential of Machine Learning applications for toxicological profiling
    • We will describe a Deep Learning framework implemented and broadly validated in support of drug research projects.
    • Multitask”-DNNs can be tweaked to describe multiple endpoints simultaneously in a single framework, further improving the performance of individual models.
    • Typical applications are the early identification of drug liabilities, and contribution to understanding of liabilities, such as safety pharmacology, hepatobiliary metabolic toxicity; off-target mediated clastogenicity; pre-/clinical photosafety.

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    16:10

    Chair's closing remarks

    Darren Green, Director of Molecular Design, GSK

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    8:30

    Registration & Coffee

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    9:00

    Chair's Opening Remarks

    Darren Green, Director of Molecular Design, GSK

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    9:10

    5 years down the AI road in Discovery: challenges encountered (e.g. data!) and benefits achieved

    Friedrich Rippmann, Director, Global Computational Chemistry & Biology, Merck

    • >300 Predictive Models generated, by Machine Learning, including Deep Learning
    • Data collection and curation is central to quality models (garbage in, garbage out)
    • Major interface development necessary for making models used by all scientists
    • AI-based generation of novel molecules meeting predefined requirements becomes a reality

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    9:40

    Effects of chemical descriptor configuration and structure standardization on machine learning models

    Bilal Nizami, Application Scientists, ChemAxon

    • Outline the types and configurations of chemical descriptors available to machine learning models
    • Describe the effects of data curation and structure standardization techniques on available data and models that are generated thereof
    • Discuss how the introduction of noise or generation of novel descriptors will affect the accuracy, applicability or generality of such models

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    10:20

    Morning Coffee

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    10:50

    Data quality, scale and organisation for machine learning in the life sciences

    Andrew Leach, Head of Chemistry Services, EMBL-EBI

    • An overview of the data landscape in drug discovery & development
    • What do we mean by “data quality” and what is the current state-of-the art?
    • What are the future opportunities that will help drive machine learning and AI?
    • What should we do now to address these opportunities?

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    11:20

    Drug Discovery Data for AI

    John Overington, Chief Informatics Officer, Medicines Discovery Catapult

    • The need for speed and agility in data provisioning
    • Strategies to rapidly index and curate data on demand
    • Automated curation and data validation approaches
    • Examples of application to AI drug optimisation

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    11:50

    Artificial Intelligence in human systems modelling

  • Chemical and Biological Data – quantity, quality, and predictive value in discovery and safety
  • Life science data is not black and white – why ‘AI in drug discovery’ is not trivial
  • Using data in drug discovery: Case studies from repurposing, discovery and safety
  • Clayton Rabideau

    Clayton Rabideau, Founder , SynTensor

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    12:20

    Networking Lunch

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    13:20

    Drug discovery, strategic thinking and the Centaur Chemist

    Willem Van Hoorn, Chief Decision Scientist, Exscientia

    • Trajectory of hit to candidate is the most expensive part of drug discovery
    • Exscientia has successfully combined AI tech with human strategic thinking into the Centaur Chemist(TM)
    • The Centaur ChemistTM has delivered multiple clinical candidates in less than a year

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    13:50

    Accelerating treatments for rare diseases

    Andrea Pierleoni, Head of Artificial Intelligence, Healx Limited

    • Introduction to HealNet: end-to-end AI-driven platform for drug repurposing
    • Machine Learning as the key to scale up the discovery process
    • Use case study – discovering novel treatments for Fragile X Syndrome

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    14:20

    Afternoon Tea

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    14:50

    How AI is revolutionising drug discovery and development

    Bryn Williams-Jones, Director of Exploratory Research, Benevolent AI

    • Outlining the hurdles of bringing a new medicine to market; 10+ years, $2.5bn spent, 90% likelihood of failure
    Overview of The Benevolent Platform® which is used by our scientists and technologists
    • Finding new ways to treat disease
    • Improving the efficacy and lowering the development time and costs of new treatments

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    15:20

    Deep Learning Applied to Ligand-Based De Novo Design: A Real LIfe Lead Optimization Case Study

    Quentin Perron, Co-Founder & CSO, Iktos

    • Introduction to AI in chemistry and drug design in particular
    • Generative AI applied to de novo drug design
    • Presentation of a real life LO project solved with our approach (11 endpoints)
    • Some perspectives on AI in chemistry and future developments

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    15:50

    Network-Driven drug discovery

    Jonny Wray, Head of Discovery Informatics, e-Therapeutics PLC

    • Conceptual foundations of a practical, in silico approach to early drug discovery based on modelling biological processes as networks and looking for agents able to perturb those networks
    • Details of the informatics platform implementing the network-driven approach based on the integration of multiple data sources combined with network analytics
    • Successful validation via multiple discovery projects across a range of indications and biological mechanisms

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    16:20

    Chairman’s Closing Remarks and Close of Day Two

    Darren Green, Director of Molecular Design, GSK


    Head of Computational Molecular Design
    Bayer
    Head of Artificial Intelligence
    Healx Limited
    Group Leader for Data-Driven Drug Disocvery
    University of Cambridge
    Head of Chemistry Services
    EMBL-EBI
    Director
    OMass Therapeutics
    Application Scientists
    ChemAxon
    Director of Exploratory Research
    Benevolent AI
    Director, Head of Computational Chemistry
    Sosei Heptares
    Associate Director - Computational Chemistry
    AstraZeneca Sweden
    Founder
    SynTensor
    Director of Molecular Design
    GSK
    Scientist Industrial Mathematics
    Bayer AG
    Head of Computational and System's Toxicology
    Sanofi
    Director, Global Computational Chemistry & Biology
    Merck
    Head of Synthetic Molecular Design
    Sanofi
    Head of Computational Chemistry
    Biogen
    Team Leader, Data Science and Artificial Intelligence
    AstraZeneca
    Chief Informatics Officer
    Medicines Discovery Catapult
    Senior Research Fellow
    Sosei Heptares
    Head of Discovery Informatics
    e-Therapeutics PLC
    Senior Principal Research Scientist, Cheminformatics Group Leader
    Abbvie
    Co-Founder & CSO
    Iktos
    Principal
    Blue Burgundy (Drug Discovery Consulting) Ltd
    Scientific Director, Computation Sciences
    GSK
    Director, Applications Science, Europe
    Schrodinger
    Director, Discovery Research
    MSD
    Chief Decision Scientist
    Exscientia

    Sponsors

    Exhibitors

    Supporting Media Partners

    Supporters

    Workshops

    Attendee List 2020

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    Speaker Interview - Thomas Steinbrecher

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    PAST PRESENTATION by Govinda Bhisetti, Biogen

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    PAST PRESENTATION by Vivek Vishnudas, Berg LLC

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    PAST PRESENTATION by Alexander Hillisch, Bayer

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    Speaker Interview - Andrea Pierleoni

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    Speaker Interview -Bryn Williams-Jones

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    Speaker Interview - Robert Young, Blue Burgundy

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    Chair Letter

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    Speaker Interview with John Overington

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    Speaker Interview with Willem van Hoorn

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    Speaker Interview -Andreas Bender

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    Post conference workshop 2020

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    Speaker Bio's for 2020

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    Programme 2020

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    Sponsors


    Chemaxon

    Sponsors
    https://chemaxon.com/

    Chemaxon is a chemical and biochemical software company, with offices in Budapest, Boston, Basel, San Diego. We have developed more than a dozen applications, including JChem Engines for outstanding search in large databases, Marvin for structure sketching, Design Hub for collaboration, which are widely used in life sciences R&D and education. We are presenting Trainer Engine to scientists who want to predict molecular properties by reducing the complexity to build, optimize, validate and apply novel models.


    Schrodinger

    Sponsors
    http://www.schrodinger.com/

    Schrödinger is transforming the way therapeutics and materials are discovered. Schrödinger has pioneered a physics-based software platform that enables discovery of high-quality, novel molecules for drug development and materials applications more rapidly and at lower cost compared to traditional methods. The software platform is used by biopharmaceutical and industrial companies, academic institutions, and government laboratories around the world. Schrödinger’s multidisciplinary drug discovery team also leverages the software platform to advance collaborative programs and its own pipeline of novel therapeutics to address unmet medical needs. Founded in 1990, Schrödinger has over 650 employees and is engaged with customers and collaborators in more than 70 countries. To learn more, visit www.schrodinger.com, follow us on LinkedIn and Twitter, or visit our blog, Extrapolations.com.

    Exhibitors


    OpenEye Scientific Software

    Exhibitors
    http://www.eyesopen.com/

    OpenEye has built a solid reputation as a scientific leader in the field of molecular design based on two decades of delivering useful applications and programming toolkits. Our scientific approach has focussed on the power of molecular 3D structure to inform and guide, in particular via the concept of shape similarity. We have changed industry perception of what is possible with the speed, robustness and scalability of our tools and have recently built these into a ground-up, cloud-native platform, Orion. Combining unlimited computation and storage with powerful tools for data sharing, visualization and analysis in an open development platform, Orion offers unprecedented capabilities for drug discovery and optimization.

    Media Partners


    Pharmaceutical Technology

    Supporting Media Partners
    http://www.pharmaceutical-technology.com

    Pharmaceutical-technology.com is the only website focusing specifically on issues relevant to pharmaceutical professionals working with technology, be it development, engineering, IT or production. Pharmaceutical-technology.com brings you the latest in industry projects and updates, along with the news, views and trends that leading professionals – from senior executives to manufacturing managers and heads of procurement – require to stay on top of their field.


    World Pharma News

    Supporting Media Partners
    http://www.worldpharmanews.com/



    Technology Networks

    Supporting Media Partners
    http://go.technologynetworks.com/subscribe-to-newsletters

    Founded in 2000, Technology Networks is established as the leading news provider for life science and drug discovery professionals. In addition, we provide unique content including webcasts, videos, application notes and posters from recent conferences. Our portfolio now includes around 30 focussed scientific communities, all of which are accessible free of charge within TechnologyNetworks.com


    Pharma Journalist

    Supporting Media Partners
    http://www.pharmajournalist.com

    Pharma Journalist is a product of Kellen Media. Pharma Journalist is one of the leading website covering the need of global Pharmaceutical Industry. Articles like latest news, trends, analysis, market report, press releases, whitepapers, case studies, etc. published on pharmajournalist.com helps Industry professionals and decision makers to stay on the top of this fast-paced industry. Pharma Journalist aims of providing fast and informative articles to its readers and subscribers.


    Select Science

    Supporting Media Partners
    http://www.selectscience.net/

    SelectScience is an independent, online information resource for the worldwide scientific community, and the home of trusted information for laboratory scientists. Discover impartial, expert opinion and trusted reviews about latest laboratory equipment and techniques; plus videos, application notes and science news from around the world. Become a member for free today.


    SciDoc Publishers

    Supporting Media Partners
    http://www.scidoc.org

    SciDoc Publishers is a major source provider of e-journals in the field of Science, Technology and Medicine (STM). The nature of journals - Open Access and Peer-reviewed. We are aimed with a sole motive in making a mark in the field of Open Access, by propagating the knowledge to the scientific community. Our prime concern involves, the knowledge to reach millions of readers and give them access to scientific publications - online.


    Pharmacircle

    Supporting Media Partners
    http://www.pharmacircle.com

    PharmaCircle is an innovative knowledge management company serving the current and future global leaders in the Pharmaceutical and Biotechnology related industries. PharmaCircle is a one stop information and analysis source for pipeline, products, clinical trials, drug delivery technologies, deals and acquisitions, company financials, venture capital investments, product sales, pharmaceutical services, news, patents and more….


    Contract Biotechnology

    Supporting Media Partners
    http://www.contract-biotechnology.com

    Contract-Biotechnology.com is a web-based platform for laboratory outsourcing solutions. It is an online R&D matching tool that connects Scientifics and service and product providers worldwide. The platform Contract-Biotechnology.com would help you in the process of finding the right partner saving time and money, because with one single and secure application you would be able to receive multiple quotes quickly, keeping your contact information confidential. Contract-Biotechnology.com is the new Collaboration Network Model for Discovery Research and Development. Contract-Biotechnology.com team has extensive experience working for pharmaceuticals, biotechs, universities and academic research institutes and can help you addressing your key gaps.


    Pharmalicensing

    Supporting Media Partners
    http://www.pharmalicensing.com

    Pharmalicensing (www.pharmalicensing.com) is the premier biopharmaceutical Open Innovation resource designed for professionals involved with partnering, licensing and business development worldwide. Actively supporting all forms of partnering and in- and out-licensing activities, Pharmalicensing utilizes the unique online Showcase Profiling & Discover services, as well as its renowned Partnering Search service leveraging its global network of industry experts, to enable companies to identify and engage with appropriate partners around the world. Pharmalicensing is actively utilized by many tens of thousands of industry professionals each month. Pharmalicensing is a division of Cognis Group, Inc.


    Swiss Biotech Association

    Supporting Media Partners
    http://www.swissbiotech.org/

    The Swiss Biotech Association (SBA) is the national industry association for biotechnology, including pharmaceuticals, diagnostics, agriculture, food, cosmetics, environmental biotechnology, and specialty chemicals. Members are companies active in modern biotechnology, such as R&D, Production, Marketing and Sales, Finance, Services and Consulting. SBA provides a networking platform for Life Science clusters, academic and federal institutions the like. Founded in March 1998, the Association grows steadily.


    IPI

    Supporting Media Partners
    http://www.ipimediaworld.com

    IPI – International Pharmaceutical Industry Established by professionals with over 30 years experience in the Pharmaceutical and Life sciences publishing sectors. We have identified the needs of these dynamic industries, and have listened carefully to our readers and advertisers. With strong collaboration between Pharmaceutical and Life sciences Industry Associations we have created a global distribution network. We give you a promise to become a reliable extension of your marketing and communication arm. If necessary we will integrate our expertise with your needs. Incorporating new and innovative communication methods we will help to highlight your expertise.


    pharmaphorum

    Supporting Media Partners
    http://www.pharmaphorum.com

    pharmaphorum drives innovation within the pharmaceutical industry, by bringing healthcare together through a suite of media services that help produce and disseminate thought leadership, combined with an online platform for communicating messages to a global audience.Visit www.pharmaphorum.com


    pharmanews hq

    Supporting Media Partners
    http://http://pharmanewshq.com

    MedChemNet provides a unique and unparalleled platform for the medicinal chemistry community to share insights, discuss the latest research, and help move the field forward. MedChemNet covers all aspects of the drug discovery pipeline, from target identification and validation, through computer aided drug design (CADD), synthesis, screening and other biophysical techniques, to development of novel lead compounds and pre-clinical in vivo proof of concept. We also cover the design of synthetic drug delivery carriers and ADME/toxicology studies, as well as intellectual property and economic related issues. Website: Welcome to Pharma News HQ, the journal dedicated to the pharmaceutical and biopharmaceutical contract services. With regular sections on contract manufacturing, contract research, contract packaging, formulation/development services, contract analytical testing, APIs, stability testing, clinical research and other areas, we bring the most complete coverage of trends and issues in the industry. Pharmanewshq.com is the only website focusing specifically on issues relevant to pharmaceutical professionals working with technology, be it development, engineering, IT or production.


    Gate2Biotech

    Supporting Media Partners
    http://www.gate2biotech.com

    Gate2Biotech is a portal that unites biotechnological community in Central Europe. It covers all the news in the field of biotechnology. Thanks to the the portal the companies engaged in the field can easily search for research institutions and other partners to solve technical problems they are facing and here they can also present their services offer to potential partners from the Czech Republic and abroad. Gate2Biotech portal serves as a bridge connecting scientific and commercial sector. It incorporates offices and support organizations dedicated to promoting transfer of innovative technologies into a unified communication platform of Czech and international biotechnologies. As a mediator of information it draws attention to biotechnologies and support of their application and transfer into practice. It also functions as a tool for encouraging non-professionals (especially scientists and students) towards innovative business or applied research.


    Labsave

    Supporting Media Partners
    http://www.labsave.com

    Labsave is the leading savings website for Laboratory Equipment and Lab Supplies. We work closely with the top suppliers in the world to bring you the best products at the most competitive prices. We are constantly striving to secure the biggest and most exclusive offers that you won’t find anywhere else! http://www.labsave.com/


    Drug Discovery Today

    Supporting Media Partners
    http://www.drugdiscoverytoday.com/

    Drug Discovery Today covers the whole of the preclinical drug discovery process. The reviews are cutting edge, written by experts in their respective fields and cover all aspects of drug discovery from genomic and proteomic approaches, computational drug design, medicinal chemistry and the translation of these sciences to therapies.


    Pharmavision

    Supporting Media Partners
    http://www.pharmavision.co.uk

    PharmaVision offers a consultancy service providing independent pharmaceutical thematic research to the healthcare industry, the investment community and competitive intelligence specialists. We perform due diligence research and provide expert commentary in healthcare. Our reports combine scientific analysis in drug delivery, R&D technologies and pharmaceutical products including patient modelling, product/technology forecasts and market trends evaluation.


    Biosave

    Supporting Media Partners
    http://www.Biosave.com

    Biosave.com brings together the best Life Science promotions, product releases, featured products, publications, videos and events from 100’s of leading Life Science suppliers. Updated 24 hours a day, Biosave is constantly uploading special promotions and exciting product news that you won’t find anywhere else. Our goal is to provide our users with the most exclusive product information to help reach that all important purchasing decision.


    Farmavita

    Supporting Media Partners
    https://farmavitar.com

    FarmavitaR+ is the professional network of experts and service providers. Network is gathering local consultants from 90 countries in Europe, Asia, North America, Latin America, Australia and Africa. Management of international, multi-centre projects is our core competence. FarmavitaR+ is providing solutions related to pharmaceutical, medical device, food supplement and cosmetic products. Scope of services is related to solutions for product development, quality assurance, clinical trials, product registration, portfolio analysis, lifecycle management, vigilance/risk management, pricing/reimbursing, market access and promotional compliance. FarmavitaR+ is brand name of Farmavita Regulanet Ltd. Visit https://farmavitar.com for more information. Outsource anything you can think of!


    Mednous

    Supporting Media Partners
    http://www.MedNous.com

    MedNous is a print publication and website about medical innovation in Europe. It carries exclusive interviews with companies that are at the forefront of medical technology, as well as contributor articles from prominent practitioners. Our mission is to identify significant advances in medicine and to explain how this innovation is being commercialised. In doing so, we talk to venture capitalists about what products and platforms they are supporting. We report on how regulators cope with the accelerating pace of innovation. And we regularly cover the latest developments in the discovery and development of new medical concepts in the area of antibodies, vaccines, small molecules, regenerative medicine and nanomedicines. MedNous combines the English word for medicine with the Greek word for intellect. And those with nous are readers of our publication. Visit our website: www.mednous.com

    Media Partners


    Absave

    Supporters
    http://www.absave.com

    Absave.com is the leading savings website for Antibodies and Immunological Products. Search our extensive database of Antibodies, Kits, Proteins & Peptides, Reagents, etc. to find the best savings!

    Copthorne Tara Hotel

    Scarsdale Place
    Kensington
    London W8 5SR
    United Kingdom

    Copthorne Tara Hotel

    The Copthorne Tara Hotel London Kensington is an elegant contemporary four-star hotel in prestigious Kensington, located just a two minutes walk from High Street Kensington underground station, making exploring easy. The hotel offers well-appointed and comfortable guest rooms combining Standard, Superior and Club accommodation. Club rooms offer iconic views over the city and include Club Lounge access for complimentary breakfast and refreshments. Guests can sample the authentic Singaporean, Malaysian and Chinese cuisine at Bugis Street, traditional pub fare at the Brasserie Restaurant & Bar or relax with a delicious drink at West8 Cocktail Lounge & Bar.

    The Copthorne Tara Hotel boasts 745 square meters of flexible meeting space, consisting of the Shannon Suite and the Liffey Suite, ideal for hosting conferences, weddings and social events. Facilities include access to the business centre 24 hours a day, fully equipped fitness room, gift shop, theatre desk and Bureau de Change. With ample onsite parking outside the London congestion charge zone and excellent transport links via Heathrow Airport, the hotel is the perfect location for business or leisure stays. The hotel is within close proximity to the shops of High Street Kensington, Knightsbridge and Westfield London, Olympia Conference Centre, Royal Albert Hall, Kensington Palace and Hyde Park.

     

    HOTEL BOOKING FORM

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    WHAT IS CPD?

    CPD stands for Continuing Professional Development’. It is essentially a philosophy, which maintains that in order to be effective, learning should be organised and structured. The most common definition is:

    ‘A commitment to structured skills and knowledge enhancement for Personal or Professional competence’

    CPD is a common requirement of individual membership with professional bodies and Institutes. Increasingly, employers also expect their staff to undertake regular CPD activities.

    Undertaken over a period of time, CPD ensures that educational qualifications do not become obsolete, and allows for best practice and professional standards to be upheld.

    CPD can be undertaken through a variety of learning activities including instructor led training courses, seminars and conferences, e:learning modules or structured reading.

    CPD AND PROFESSIONAL INSTITUTES

    There are approximately 470 institutes in the UK across all industry sectors, with a collective membership of circa 4 million professionals, and they all expect their members to undertake CPD.

    For some institutes undertaking CPD is mandatory e.g. accountancy and law, and linked to a licence to practice, for others it’s obligatory. By ensuring that their members undertake CPD, the professional bodies seek to ensure that professional standards, legislative awareness and ethical practices are maintained.

    CPD Schemes often run over the period of a year and the institutes generally provide online tools for their members to record and reflect on their CPD activities.

    TYPICAL CPD SCHEMES AND RECORDING OF CPD (CPD points and hours)

    Professional bodies and Institutes CPD schemes are either structured as ‘Input’ or ‘Output’ based.

    ‘Input’ based schemes list a precise number of CPD hours that individuals must achieve within a given time period. These schemes can also use different ‘currencies’ such as points, merits, units or credits, where an individual must accumulate the number required. These currencies are usually based on time i.e. 1 CPD point = 1 hour of learning.

    ‘Output’ based schemes are learner centred. They require individuals to set learning goals that align to professional competencies, or personal development objectives. These schemes also list different ways to achieve the learning goals e.g. training courses, seminars or e:learning, which enables an individual to complete their CPD through their preferred mode of learning.

    The majority of Input and Output based schemes actively encourage individuals to seek appropriate CPD activities independently.

    As a formal provider of CPD certified activities, SAE Media Group can provide an indication of the learning benefit gained and the typical completion. However, it is ultimately the responsibility of the delegate to evaluate their learning, and record it correctly in line with their professional body’s or employers requirements.

    GLOBAL CPD

    Increasingly, international and emerging markets are ‘professionalising’ their workforces and looking to the UK to benchmark educational standards. The undertaking of CPD is now increasingly expected of any individual employed within today’s global marketplace.

    CPD Certificates

    We can provide a certificate for all our accredited events. To request a CPD certificate for a conference , workshop, master classes you have attended please email events@saemediagroup.com

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    Opening Hours: 9.00 - 17.30 (local time)
    SAE Media Group , Ground Floor, India House, 45 Curlew Street, London, SE1 2ND, United Kingdom
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