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AI in Drug Discovery

SAE Media Group’s 3rd Annual Conference
AI in Drug Discovery
14-15 March, 2022 | Conference
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With the recent pandemic highlighting the need for rapid drug discovery, AI has become an area of increased interest. This is driven by the ability to discover drugs through the use of machine and deep learning. The current challenges within the drug discovery industry include the significant time consumption and expenses involved. This conference will discuss the solutions to these problems with presentations and updates from leading industry experts.

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.

AI in drug discovery is becoming an integral part of the research and development area of treating diseases with more companies incorporating ‘Big Data’ and data scientists within their R&D teams. Although the AI in drug discovery area has grown rapidly over the past few years, those in the industry acknowledge that there is a long way to go. Collaboration and partnerships are the key to driving this area forward.

Join us at SAE Media Group's 3rd annual AI in Drug Discovery conference and explore the latest industry updates in: the selection of targets using AI, decision making within drug discovery and closing the loop on AI in drug discovery. Don’t miss out on presentations from leaders within the field, giving insights into the latest industry advances and answering the big questions within AI in Drug Discovery.

 

FEATURED SPEAKERS

Alexander Hillisch

Alexander Hillisch

VP Head of Molecular Computational Design, Bayer AG
Andrea Small-Howard

Andrea Small-Howard

Chief Science Officer & Board Member, GB sciences
Andrew Parton

Andrew Parton

Lead Data Scientist, Multiomic Health
Bhupathy Alagiriswamy

Bhupathy Alagiriswamy

Clinical Trial Manager, Boehringer Ingelheim
Carl Poelking

Carl Poelking

Research Associate, Astex Pharmaceuticals
Christian Tyrchan

Christian Tyrchan

Associate Director Computational Chemistry, AstraZeneca
Darren Green

Darren Green

Head of Cheminformatics and Data Science, GSK
Dave Michalovich

Dave Michalovich

SVP Precision Medicine, Benevolent AI
Eliot Frazier

Eliot Frazier

Head of AI Infrastructure, AI for Good Foundation
Friedrich Rippmann

Friedrich Rippmann

Director, Global Computational Chemistry & Biology, Merck
Gregory Vladimer

Gregory Vladimer

VP Translational Research, Exscientia
Irene Choi

Irene Choi

Senior Director, Verge Genomics
James Arnold

James Arnold

Director, Artificial Intelligence and Data Science, Genentech, A Roche Company
Maria Luisa Pineda

Maria Luisa Pineda

CEO and Co-Founder, Envisagenics
Matthew Segall

Matthew Segall

Chief Executive Officer, Optibrium
Neil Thompson

Neil Thompson

Chief Scientific Officer, Healx Limited
Patrick Schwab

Patrick Schwab

Director, Artificial Intelligence and Machine Learning , GSK
Peter Henstock

Peter Henstock

Machine Learning & AI Lead, Pfizer Global Pharmaceuticals
Philipe Moingeon

Philipe Moingeon

Head of therapeutic area immuno-inflammation, Servier Pharmaceuticals
Varenka Angelica Rodriguez DiBlasi

Varenka Angelica Rodriguez DiBlasi

Senior Scientist -Lab Head Exploratory Bioinformatics Group, Boehringer Ingelheim Pharmaceuticals, Inc.

Akos Tarcsay

Product Manager, Chemaxon Ltd
Akos Tarcsay

Akos Tarcsay is the Product Manager of Calculators and Discovery Tools at ChemAxon, a leading software solutions and services provider for chemistry and biology. His team is responsible for delivering a wide range of high-quality phys-chem predictions, structural and topological descriptors, and clustering methods. Recently the team is active in the field of streamlining machine learning to provide access to predictions built on local datasets.
Akos has a Ph.D. in computational chemistry from Budapest University of Technology and Economics. He has more than 10 years of industry experience in cheminformatics and drug design obtained at Gedeon Richter Plc and ChemAxon.

Alexander Hillisch

VP Head of Molecular Computational Design, Bayer AG
Alexander Hillisch

Biography of Prof. Dr. 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 Small-Howard

Chief Science Officer & Board Member, GB sciences
Andrea Small-Howard

Dr. Andrea Small-Howard has more than 20 years of executive and research experience in the biopharmaceutical industry supervising research and development, manufacturing, and quality control divisions in the US and China. Dr. Small-Howard has taken novel biological products from ideation through commercialization. Andrea has been named an inventor on more than sixty patent applications and obtained regulatory approvals from the US FDA and international regulatory agencies. Currently, Andrea leverages her biopharmaceutical industry knowledge as the President, Chief Science Officer, and board member at GB Sciences, Inc. Andrea brings her passion for advancing research on plant-based compounds to her current roles. She envisages bringing more plant-based medicines to market through their innovative AI-based drug discovery engine and drug development program.

Andrew Parton

Lead Data Scientist, Multiomic Health
Andrew Parton

Andrew Parton is a Lead Data Scientist at Multiomic Health, an AI-enabled precision medicine organisation with a focus on metabolic syndrome. He has received his PhD in Stratified Medicine from the University of Ulster, published multiple computational models in the cardiovascular disease space, and worked with Ensembl to develop leading variation annotation tools. His work covers Systems Biology, Machine Learning, Stratified Medicine and Software Engineering. Andrew is aiming to help Multiomic Health use data-driven and rules-based modelling techniques to help drive development of therapeutics in the Metabolic Syndrome space.

Bhupathy Alagiriswamy

Clinical Trial Manager, Boehringer Ingelheim
Bhupathy Alagiriswamy

My name is Bhupathy Alagiriswamy and I am based in London, UK.
I am a qualified Pharmacist, with over 15 years of experience in the Clinical Research industry. I am a tech enthusiast and have a great passion for disruptive technology solutions in digital healthcare and have presented Artificial Intelligence in Healthcare related topics at conferences.
My vision to enhance patient care using disruptive technology.
 

Carl Poelking

Research Associate, Astex Pharmaceuticals
Carl Poelking


I joined Astex as a machine learner in 2020, having gone through a continuous transition from physics (MSc, Uni Heidelberg), to computational chemistry (PhD, MPI for Polymer Research), to machine learning and applied statistics (postdoc, Uni Cambridge). My research interests encompass machine-learnt atomistic and molecular representations, machine-learnt force fields, reactivity and generative modelling, as well as nonlinear filtering approaches for sparse datasets – mostly in relation to structure-based drug design.
 

Christian Tyrchan

Associate Director Computational Chemistry, AstraZeneca
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.

Darren Green

Head of Cheminformatics and Data Science, 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, data analysis, 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.
 

Dave Michalovich

SVP Precision Medicine, Benevolent AI
Dave Michalovich

Dave is responsible for driving the Precision Medicine strategy at BenevolentAI, taking a patient-centric approach to understand disease endotypes, mechanisms and targets. Throughout his 23 years in the Pharma/Biotech industry, Dave has been passionate about the application of informatics, genomics and genetics to understand disease mechanisms and identify new targets. Prior to joining BenevolentAI Dave was a Senior Scientific Director at GSK where he led discovery teams in the Adaptive Immunity Research Unit and Respiratory TA, and has previously held positions at Syntaxin, Curidium Medica, Inpharmatica and Smithkline Beecham. Dave’s academic background is in molecular and cell biology. His first degree is in microbiology (University Reading) which was followed by a year at the EMBL Data Library, Heidelberg. Dave studied for his PhD in the laboratory of Gene Structure and Expression (NIMR Mill Hill, London and Erasmus, Rotterdam) followed by post doctoral work on axonal guidance mechanisms at Kings College London.

Eliot Frazier

Head of AI Infrastructure, AI for Good Foundation
Eliot Frazier

As the Head of AI infrastructure at the AI for Good foundation, Eliot leads international collaborations applying ML initiatives to society's biggest problems. Eliot is a firm believer in the power of technology as a driver for accelerating positive change. From years in research, Eliot has a wealth of experience designing advanced NLP and network-based models.

Friedrich Rippmann

Director, Global Computational Chemistry & Biology, Merck
Friedrich Rippmann

Biography Friedrich Rippmann, Merck Healthcare KGaA, Darmstadt, Germany
Friedrich Rippmann currently is Global Head of Computational Chemistry & Biologics at Merck in Darmstadt, Germany, and EMD Serono, Billerica, USA. 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. Several recent press releases (with Cyclica, IKTOS, InSilico Medicine) highlight his commitment to making latest AI technologies available to Merck’s drug discovery process.

Gregory Vladimer

VP Translational Research, Exscientia
Gregory Vladimer

Greg is the VP of Translational Biology at Exscientia, and previously the CSO and Scientific Co-founder of the AI-first precision medicine biotech Allcyte. His group at Exscientia pushes the boundaries of translational cancer research and patient-first drug development with high content screening and custom AI-supported scalable image analysis of primary human material.

Prior to founding Allcyte, Greg developed and ran the screening program for the EXALT I trial, the first ever prospective interventional study showing that functional precision medicine can deliver clinical patient benefit. He has work published in NEJM, Nature, Immunity, Nature Chemical Biology, and other top journals. He received PhD at the University of Massachusetts Medical School division of infectious disease and immunology before an EMBO-LTF funded Postdoctoral Fellowship at CeMM Center for Molecular Medicine in Vienna.
 

Irene Choi

Senior Director, Verge Genomics
Irene Choi

Irene has over 10 years of experience leading multiple neuroscience drug discovery programs from idea to clinic. Prior to Verge, she led early discovery, pharmacology, and program teams at Nektar Therapeutics. There, she helped bring several drugs to clinic, including NKTR-181, a first-in-class mu-opioid analgesic, filed for an NDA. Irene completed her post-doctoral training in Catherine Rivier's group at the Salk Institute for Biological Studies and received her Ph.D. in Biomedical Science with a focus in Neurosciences from the University of New Mexico.

James Arnold

Director, Artificial Intelligence and Data Science, Genentech, A Roche Company
James Arnold

Jim leads AI and Data Science at Genentech / Roche in Finance, and he is responsible for strategy, portfolio, data platform, data science and artificial intelligence. His twenty years of industry experience includes leading companies in Pharma, Technology and Healthcare at AstraZeneca, Amazon, two startups, and Kaiser Permanente. He has led data science and AI for four companies. His experience includes developing an AI program used in the discovery of Viracept, developing the algorithms that identified the scaffold of Zelboraf, running global Search Analytics in big data at Amazon, and developing the national claims analytics platform and patient 360 prototype for Kaiser Permanente. His PhD was in Artificial Intelligence and Computational Chemistry with W. Todd Wipke (MDL co-founder) at UCSC, and his post-doctoral work in Computational Chemistry and Biology was with Irwin D. “Tack” Kuntz at UCSF. 
 

Maria Luisa Pineda

CEO and Co-Founder, Envisagenics
Maria Luisa Pineda

Maria Luisa Pineda, PhD, is the Co-founder and CEO of Envisagenics. Dr. Pineda has over a decade of experience as a researcher and, before starting Envisagenics, she was a life science venture capital investor. Under her leadership, Envisagenics has received non-dilutive SBIR grants from the National Institutes of Health, generated significant revenue from Biopharma, raised capital from investors like Microsoft’s VC arm (M12), and won several prestigious artificial intelligence competitions, including the JLABS Artificial Intelligence for Drug Discovery QuickFire Challenge. To date, Dr. Pineda has secured research collaborations with Biogen and the Lung Cancer Initiative at Johnson & Johnson. She looks forward to closing more commercial partnerships in the near future to accelerate drug development with the help of SpliceCore®, Envisagenics’ AI platform that develops novel therapeutics for RNA splicing variants.

Marton Vass

Principal Applications Scientist, Schrodinger GmbH
Marton  Vass

Márton Vass is a Principal Applications Scientist at Schrödinger. His interests and research include utilising FEP calculations and machine learning models in drug discovery programmes and fragment-based drug design. He has previously lead machine learning assisted cheminformatics efforts and the development of the protein structure-based platform at BenevolentAI. He was a postdoctoral fellow at the VU Amsterdam, and obtained his PhD in Budapest while working at Gedeon Richter Plc specialising in computational chemistry methods for membrane protein drug targets.

Matthew Segall

Chief Executive Officer, Optibrium
Matthew Segall

Matthew Segall is CEO of Optibrium, He has a MSc in Computation from the University of Oxford and a Ph.D. in theoretical physics from the University of Cambridge. He has led teams developing predictive models and intuitive decision-support and visualization tools for drug discovery. In 2009 he led a management buyout of the StarDrop business to found Optibrium, which develops novel technologies and ground-breaking artificial intelligence services to improve the efficiency and productivity of drug discovery.

Neil Thompson

Chief Scientific Officer, Healx Limited
Neil Thompson

Over the last 30+ years, Neil’s career has seen him progress more than 10 drugs to patients and he’s led a number of drug discovery projects in areas of cardiovascular, neurology, inflammation and oncology among others.
For 15 years, Neil was Senior Vice President of Biology at Astex Pharmaceuticals, helping the company establish itself at the forefront of drug discovery by leading the biology and pre-clinical teams to deliver two new cancer drugs (Kisqali; ribociclib and Balversa; erdafitinib in partnership with Novartis and Janssen respectively) to market. Before that, he was Director of the Immunology Platform at GlaxoSmithKline (GSK).
Neil is also Deputy Chair of the UK MRC DPFS panel and Chair of the MRC CLD/ADI committee, has authored more than 40 publications and patents and sits on the advisory boards of several scientific institutions in the UK.
Neil received his doctorate in Biochemistry from King’s College London.

Patrick Schwab

Director, Artificial Intelligence and Machine Learning , GSK
Patrick Schwab

Patrick is Director of Machine Learning and Artificial Intelligence at GSK AI/ML. Patrick’s work aims to advance personalised medicine by utilising machine learning methods and large-scale health data, such as continuous measurements from smart devices and electronic health records, to better understand and treat complex diseases.
Prior to joining GSK, Patrick was a Principal Architect working on Machine Learning for Personalised Medicine at Roche in Basel, Switzerland and at Genentech in South San Francisco, US. Before joining Roche, Patrick was a doctoral researcher working on Machine Learning for Healthcare at ETH Zurich where he worked, in close collaboration with students, medical researchers, clinical experts and industrial professionals from University Hospital Zurich, the Balgrist clinic and Hocoma AG, on applying machine learning methods in the medical domain. Prior to that, Patrick collected 5 years of experience in using machine learning to automate business processes and engineering custom software solutions in industry. Patrick holds a PhD in Machine Learning (2019) from ETH Zurich, Switzerland, a MSc in Computer Science (2015) with distinction from the University of Vienna, Austria and a BSc in Computer Science (2013) with honors from Technikum Vienna, Austria.
 

Peter Henstock

Machine Learning & AI Lead, Pfizer Global Pharmaceuticals
Peter Henstock

Peter Henstock is the Machine Learning & AI Lead at Pfizer. His work has focused at the intersection of AI, visualization, statistics and software engineering applied mostly to drug discovery but more recently to clinical trials. Peter holds a PhD in Artificial Intelligence from Purdue University along with 6 Master’s degrees. He was recognized as being among the top 12 leaders in AI and Pharma globally by the Deep Knowledge Analytics group. He also currently teaches graduate AI, Software Engineering, and Computer Vision courses at Harvard.

 

Philipe Moingeon

Head of therapeutic area immuno-inflammation, Servier Pharmaceuticals
Philipe Moingeon

Philippe MOINGEON received his PhD in immunology from Paris XI University, and an MBA from Open University Business School (UK). He was formerly Resident of Paris Hospitals (1981-1986), Post-doctoral fellow (1987-1990) and Assistant Professor at Harvard Medical School (Boston, USA, 1991-1994).

He has extensive experience in the development of biologicals, holding several positions in the vaccine industry, including Head of the Cancer Vaccine program and General Secretary for Research and Development, at Aventis Pasteur (1994-2003), as well as Senior Vice President, Research and Pharmaceutical Development at Stallergenes SA (2003-2017).

He joined Servier in September 2017, to head the Center for Therapeutic Innovation for immuno-inflammatory diseases.

Two vaccines registered in Europe, USA and Japan, 210 scientific publications in peer-reviewed journals, 24 patents/ patent applications.

Current scientific interests: artificial intelligence and computational modelling in support of drug development; applications to auto-immune, inflammatory and neurological diseases.

 

Varenka Angelica Rodriguez DiBlasi

Senior Scientist -Lab Head Exploratory Bioinformatics Group, Boehringer Ingelheim Pharmaceuticals, Inc.
Varenka Angelica Rodriguez DiBlasi

Varenka Rodriguez DiBlasi, Ph.D. is a Data Scientist focused on Computational Biology. She heads the Exploratory Bioinformatics Group within the Cancer Immunology & Immune Modulation Department at Boehringer Ingelheim in Ridgefield, CT. Her group aims to identify novel target leads with first in class therapeutic potential by utilizing computational biology methods. She also collaborates with biologists to enable multi-omics study design and analysis to validate these targets.

Prior to working at Boehringer Ingelheim she worked in the pharmaceutical industry setting ( Pfizer in Cambridge, MA and at Infinity Pharmaceuticals) and academic settings (Northeastern University, Harvard Medical School, and Johns Hopkins Medical School). Varenka obtained a B.S in Biochemistry from Northeastern University, a Ph.D. in Cellular and Molecular Medicine- Epigenetics & Computational Biology (Andrew Feinberg Lab) from Johns Hopkins Medical School, and is enrolled and has obtained various Machine Learning/AI certificate programs via MIT. She is passionate about advancing drug discovery through application of computational methods to challenging problems in collaboration with project teams.

 

sponsors

Conference agenda

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8:00

Registration and Coffee

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9:00

Chair's Opening Remarks

Darren Green, Head of Cheminformatics and Data Science, GSK

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9:10

The application and development of AI methodology

Patrick Schwab, Director, Artificial Intelligence and Machine Learning , GSK

  • The intersection of functional genomics and human genetics
  • Target discovery, causal machine learning and clinical applications
  • Translating AI into the real world
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    9:45

    Assistive machine learning for fragment-based drug discovery

    Carl Poelking, Research Associate, Astex Pharmaceuticals

  • Opportunities for assistive and interactive ML in structure-based design
  • Reactivity modelling for growth and functionalization vectors
  • Machine-learnt representations of fragment networks for structure generation
  • Identification of minimal pharmacophores from fragment-screening campaigns
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    10:20

    Morning Coffee

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    10:50

    AI-augmented mechanistic target identification at BenevolentAI

    Dave Michalovich, SVP Precision Medicine, Benevolent AI

  • BenevolentAI has uniquely developed an AI-augmented, hypothesis-driven drug discovery platform that generates novel targets at scale.
  • In this talk, Dave Michalovich, SVP Precision Medicine, will explore how BenevolentAI bridges the worlds of drug discovery science and technology to help guide technologists in their work to develop AI tools that meet hyper-specific scientific requirements.
  • Through use cases he will then demonstrate how BenevolentAI applies these tools to empower target identification, precision medicine and molecular design, citing BenevolentAI's work in novel target discovery, drug repurposing and in collaboration with large pharma.
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    11:25

    Generating valuable insights from compound data to improve drug discovery productivity

    Matthew Segall, Chief Executive Officer, Optibrium

  • Proactively highlight high-quality compounds by ‘filling in’ sparse data
  • Increase confidence in decision making, identify hidden opportunities, flag outliers and false negatives
  • Help translate AI insights into the planning of experiments to focus on the most valuable measurements
  • Gain more value from your compound data, accurately predicting complex endpoints, intractable with conventional QSAR modelling
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    12:00

    Integration of AI in drug design: activity modelling and decision making

    Christian Tyrchan, Associate Director Computational Chemistry, AstraZeneca

  • An update of how the research has moved forward during the pandemic
  • Activity modelling and its impact on drug design
  • The challenges of decision making within AI
  • Active learning for FAP (functional ambulation profile as a research case study
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    12:35

    Networking Lunch

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    13:35

    Converting data to project team insights

    Akos Tarcsay, Product Manager, Chemaxon Ltd

  • Building machine learning models for large number of targets
  • Demonstration of use cases from ADMET predictions: hERG and penetration models
  • Overarching review of challenges from data to actionable predictions
  • Leveraging the power of predictions in integrated design system
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    14:10

    NovaDesign, a Holistic Structure-based de novo Approach and Its Impact on Drug Discovery Projects

    Alexander Hillisch, VP Head of Molecular Computational Design, Bayer AG

  • Components of the holistic workflow
  • Recent application examples of NovaDesign
  • Comparison to more traditional hit finding approaches
  • Future vision of holistic approaches
     
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    14:45

    AI-powered, patient inspired treatments for rare diseases

    Neil Thompson, Chief Scientific Officer, Healx Limited

  • Using natural language processing (NLP) to extract disease knowledge from published sources
  • A hypothesis free approach, what is means and how it works
  • The rare disease-focused knowledge graph and what is shows
  • Rare Treatment Accelerator (RTA), what it is.
     
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    15:20

    Afternoon Tea

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    15:50

    Active learning free energy calculations (AL-FEP) for the rapid exploration of large chemical space in lead optimisation

    Marton Vass, Principal Applications Scientist, Schrodinger GmbH

  • Active learning coupled with accurate physics-based models allows the exploration of large chemical spaces 
  • Best practices in AL-FEP emerging from using the method at scale in drug discovery –programmes
  • AL-FEP powers AutoDesigner, a multi-stage de novo design algorithm with multiple parameter profiles 
  • Identification of novel DAO scaffold with improved affinity, CNS penetration, and the discovery of a novel subpocket
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    16:25

    Artificial Intelligence Transforming Finance for Biotechnology

    James Arnold, Director, Artificial Intelligence and Data Science, Genentech, A Roche Company

  • Multi-year strategy and execution to transform technology and business practices, and deliver Analytics and AI integrated into company operations.
  • Portfolio driven approach to balance stakeholder needs with technology initiatives and staff expertise.
  • Challenges in building the global big data “factory”, delivering cross-functional initiatives across silos, and developing and delivering Analytics and AI/ML spanning global operations.
  • Examples of successful applications being used in Analytics, natural language processing (NLP), time series and optimization.
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    17:00

    Chair's Closing Remarks and Close of Day One

    Darren Green, Head of Cheminformatics and Data Science, GSK

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    8:30

    Registration and Coffee

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    9:00

    Chair's Opening Remarks

    Darren Green, Head of Cheminformatics and Data Science, GSK

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    9:10

    Accelerating Drug Discovery using AI-enabled ML across Target Identification to Clinical Candidate Nomination

    Irene Choi, Senior Director, Verge Genomics

  • Leverage AI-ML to identify a “disease signature” and novel targets
  • Integrate AI-ML in selection of relevant preclinical/ translational models
  • Focus on AL-ML enabled translational readouts which demonstrate PoC in advancing disease modulating therapies to clinic
     
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    9:45

    Towards in silico clinical studies to predict drug efficacy

    Philipe Moingeon, Head of therapeutic area immuno-inflammation, Servier Pharmaceuticals

  • Assessing the complexity of chronic diseases by combining comprehensive molecular profiling of patients with AI-modelling
  • Using disease models to support various steps of drug development
  • How far are we from performing virtual clinical studies to evaluate drug efficacy?
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    10:20

    Morning Coffee

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    10:50

    Applying deep neural networks and machine learning in drug discovery

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

    Understanding how AI and machine learning is being applied across drug discovery 
    Predictive models and how they benefit drug discovery, including rational based drug design

    How AI and machine learning can alleviate some of the bottle necks within discovering medicines 
    The future advances within this field that will allow AI to be a critical part of drug discovery
     

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    11:25

    How AI enhances every stage of Clinical Research

    Bhupathy Alagiriswamy, Clinical Trial Manager, Boehringer Ingelheim

  • Challenges in the current and traditional clinical trial process
  • Overview of AI and its applications
  • AI in Clinical trial – pros and cons
  • Case studies
  • Regulatory guidance and ethics within AI
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    12:00

    Cross species meta-analysis of cancer associated fibroblasts heterogeneity via single cell RNA-seq and spatial transcriptomics data sets

    Varenka Angelica Rodriguez DiBlasi, Senior Scientist -Lab Head Exploratory Bioinformatics Group, Boehringer Ingelheim Pharmaceuticals, Inc.

  • Meta-analysis of CAF Heterogeneity in human tumours of PDAC and CRC
  • PDAC mouse models that recapitulate human CAF heterogeneity and their implications in immune-oncology drug discovery
  • Maximizing pathology informatics with AI approaches
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    12:35

    Lunch

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    13:35

    Panel Discussion: The use of AI in Drug Discovery for the treatment of rare diseases

  • How rare disease research can benefit from the use of AI technologies 
  • Strategies around finding new treatments for rare diseases
  • A future outlook on moving from computer science to medicine
     
  • Maria Luisa Pineda, CEO and Co-Founder, Envisagenics

    Neil Thompson, Chief Scientific Officer, Healx Limited

    Andrew Parton, Lead Data Scientist, Multiomic Health

    Darren Green, Head of Cheminformatics and Data Science, GSK

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    14:15

    Integrating multi-omic data to lead drug discovery

    Andrew Parton, Lead Data Scientist, Multiomic Health

  • The importance of taking a holistic view towards data and drug discovery
  • Approaches on how to integrate complex data for complex diseases
  • Integration of data-driven research with wise experimental target validation approaches
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    14:50

    Patient-first drug development through AI-supported functional precision medicine platform

    Gregory Vladimer, VP Translational Research, Exscientia

  • Functional precision medicine platforms enables patient-first drug discovery and development using primary human tissues.
  • High content imaging and custom AI-derived image analysis drives the scalable quantification of drug effects at the single cell level from primary patient material/
  • Platform technology has proven translational and clinical impact through the first ever prospective interventional trial prioritising therapy for late-stage patients with blood cancer (EXALT-I; NCT03096821)
     
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    15:25

    Afternoon Tea

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    15:55

    Natural language processing from clinical trials to patent mining

    Peter Henstock, Machine Learning & AI Lead, Pfizer Global Pharmaceuticals

  • Extended search and export capability for clinicaltrials.gov
  • Combining drug labels and patent claim extraction to interpret legal strategies 
  • Examples of additional use cases within pharma
  • The future and possibilities of Natural Language processing
     
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    16:30

    From Drug Discovery to Healthcare, an AI insight

    Eliot Frazier, Head of AI Infrastructure, AI for Good Foundation

  • What is AI for good?
  • Training datasets to reflect all ethnicities
  • The importance of equity in AI and current drawbacks and flaws in current datasets
  • The hospital for children clinical trial; the benefits of a machine learning based clinical trials
  • Addressing big topics such as moving away from the buzzword ‘AI’
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    17:40

    Chair's Closing Remarks and Close of Day Two

    Darren Green, Head of Cheminformatics and Data Science, GSK


    Product Manager
    Chemaxon Ltd
    VP Head of Molecular Computational Design
    Bayer AG
    Chief Science Officer & Board Member
    GB sciences
    Lead Data Scientist
    Multiomic Health
    Clinical Trial Manager
    Boehringer Ingelheim
    Research Associate
    Astex Pharmaceuticals
    Associate Director Computational Chemistry
    AstraZeneca
    Head of Cheminformatics and Data Science
    GSK
    SVP Precision Medicine
    Benevolent AI
    Head of AI Infrastructure
    AI for Good Foundation
    Director, Global Computational Chemistry & Biology
    Merck
    VP Translational Research
    Exscientia
    Senior Director
    Verge Genomics
    Director, Artificial Intelligence and Data Science
    Genentech, A Roche Company
    CEO and Co-Founder
    Envisagenics
    Principal Applications Scientist
    Schrodinger GmbH
    Chief Executive Officer
    Optibrium
    Chief Scientific Officer
    Healx Limited
    Director, Artificial Intelligence and Machine Learning
    GSK
    Machine Learning & AI Lead
    Pfizer Global Pharmaceuticals
    Head of therapeutic area immuno-inflammation
    Servier Pharmaceuticals
    Senior Scientist -Lab Head Exploratory Bioinformatics Group
    Boehringer Ingelheim Pharmaceuticals, Inc.

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    Preliminary Attendees

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    Speaker Sponsor Interview - Chemaxon

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    Conference Chair Letter

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    Chair & Speaker Biographies

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    AI in Drug Discovery 2022 Brochure

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    Workshop Agendas

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    Past Attendees

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    Past Speaker Presentation - Ton van Daelen, BIOVIA & Scott Bembenek, Denovicon

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    Past Speaker Presentation - Steve Smith, Teva Pharmaceuticals

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    Past Speaker Presentation - Naheed Kurji, Cyclica

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    Past Speaker Presentation - Ed Addison, Cloud Pharmaceuticals, Inc.

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    Past Speaker Presentation - Darren Green, GSK

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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.


    Optibrium

    Sponsors
    http://www.optibrium.com

    Optibrium develops cutting-edge software for small molecule design, optimisation and data analysis. Cerella™, Optibrium’s proven AI, guides successful drug discovery, generating valuable insights from your data, whilst Inspyra™ combines your expert chemistry knowledge with the exploratory power of generative methods to create, evaluate and optimise novel compound ideas.



    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.

    Media Partners


    pharmaphorum

    Supporters
    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


    SciDoc Publishers

    Supporters
    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.


    Pharmalicensing

    Supporters
    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.


    Pharmacircle

    Supporters
    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….


    Select Science

    Supporters
    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.


    Hospital & Healthcare Management

    Supporters
    https://www.hhmglobal.com/media-pack



    Pharmaceutical Technology

    Supporters
    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.


    Pharma Journalist

    Supporters
    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.


    Gate2Biotech

    Supporters
    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.


    Farmavita

    Supporters
    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!


    pharmanews hq

    Supporters
    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.


    Drug Discovery Today

    Supporters
    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.


    Technology Networks

    Supporters
    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


    Mednous

    Supporters
    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


    Contract Biotechnology

    Supporters
    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.


    IPI

    Supporters
    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.

    Hilton London Kensington

    179-199 Holland Park Avenue
    London W11 4UL
    United Kingdom

    Hilton London Kensington

    At the heart of the Holland Park district, our hotel is 10 minutes from Westfield London shopping center. We're blocks from Shepherd's Bush Underground station, linking to central London, and Kensington Palace and Gardens are two miles from us. Enjoy 24-hour access to our fitness center.

     
    Join us in WestEleven for hearty buffet breakfast, a great way to start the day! Our Avenue Bar and Lounge serves light bites throughout the day as well as a delicious, seasonal dining menu.”
    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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    Contact SAE Media Group

    UK Office
    Opening Hours: 9.00 - 17.30 (local time)
    SAE Media Group , Ground Floor, India House, 45 Curlew Street, London, SE1 2ND, United Kingdom
    Tel: +44 (0) 20 7827 6000 Fax: +44 (0) 20 7827 6001
    Website: http://www.smgconferences.com Email: events@saemediagroup.com
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