About the Event
The application of artificial intelligence (AI), machine learning (ML) and data mining algorithms have been making an impact on preclinical drug development. The diverse fields of chemistry and drug design, target discovery, pharmacology, and bioinformatics have seen the increasing use of data mining and analytics to help devise experiments and decision-making.
The workstreams in chemistry, target identification, PK/PD predictions, and early safety assessment in close association with computational science provide a significant advantage to discovering new drugs faster.
This symposium will be bringing experts together from the fields of computational data science, chemistry, pharmacology, and informatics to talk about the latest applications and limitations of AI and ML in early therapeutic discovery.
Program Agenda
Time | Session | Speaker | |
|---|---|---|---|
1:00 pm – 1:15 pm | Guest Arrival | Sarah Chatterjee | |
1:15 pm – 1:30 pm | Introduction and agenda for the symposium | Vikas Shirsath | |
1:30 pm – 2:15 pm | Data driven early discovery collaborations | Santosh Kulkarni, Achintya Das, Vishwottam Kandikere | |
2:15 pm – 3:00 pm | Integrated Physics + AI + Lab to Drug Challenging Disease Targets | Woody Sherman | |
3:00 pm – 3:45 pm | Exploring Predictive Workflows in Small Molecule Discovery through DEL-ML | Eric Sigel | |
3:45 pm – 4:30 pm | Automation, Machine Learning, and Artificial Intelligence for Medicinal Chemistry | Istvan Enyedy | |
4:30 pm – 5:00 pm | Refreshments and networking |
Our Speakers
Eric Sigel
Co-Founder & CEO,
Citadel Discovery
Eric is an information technology leader synthesizing diverse requirement of software, IT, automation, data science and scientific computing into a corporate technology vision with 16 years of leadership experience driving corporate goals, system design, policy, team building, project management, and innovation initiatives. His experience also includes consulting in DNA Encoded Library Informatics, Scientific Computing, Data Science, Cheminformatics, Scientific Databases, Biotech IT/DevOps design, Informatic System workflow integration, Large scale data analysis and more. He has also worked withing with Third Rock Ventures platform team and small to mid-size biotechs in the small molecule discovery space.
Istvan is a computational chemist with background in organic chemistry and biochemistry and with over 21 years of experience in ligand and structure-based drug design, chemoinformatics, machine learning for building ADMET prediction models, and quantum chemistry. Istvan has authored over 50 publications and is a co-inventor on 14 patents or patent applications. He was a part of the teams that delivered 2 predominant drugs – Pradigastat and Regorafenib. He has extensive experience in machine learning for building prediction models of ADMET properties of compounds.
Istvan Enyedy
Sr. Director Computational Chemistry, Theseus Pharmaceuticals
Woody Sherman
CEO, Psivant Therapeutics
Currently the CEO at Psivant Therapeutics, Woody’s prior roles include Chief Computational Scientist at Roivant Sciences, Chief Scientific Officer at Silicon Therapeutics, and Global Head of Applications Science at Schrodinger. Woody is a PhD from MIT who has worked on role of electrostatics and developed various novel methods in protein-ligand binding. He led several projects on research, product development, methods development, and the deployment of Python-based tools. He also worked closely with Pharma partners on research projects and collaborations. Woody has published over 90 peer-reviewed papers on a broad range of topics, including docking studies, molecular dynamics, free energy simulations, protein design and many more. As CSO at Silicon Therapeutics, Woody was responsible for the development of computational methods and deployment in drug discovery projects. As Chief Computational Scientist at Roivant, Woody oversaw the development of the QUAISAR computational platform in addition to leading multiple drug discovery projects.
Achintya is a data sciences and modeling leader with expertise across computational chemistry and biology, informatics, AI and data analytics platforms. He has an experience of about 30 years in the industry. He has conceptualized and set up the supercomputing centre for bioinformatics & computational biology of IIT Delhi as a center of excellence for research and training in computational chemistry and biology. He has delivered services, turnkey projects and solutions in computational molecule design & optimization, modeling, data analytics & visualization, AI and automation using offshore and hybrid on-site/offshore models to leading pharma, biotech and consumer goods companies. He has delivered modeling services for a biopharmaceutical company and CROs involving target assessment, analysis of HTS, repurposing, antibody modeling. Currently, as the Head of Computational & Data Sciences, he is leading a multifaceted team of ~50 scientists across bio/cheminformatics, computational chemistry/biology, life scientists, data scientists and developers to build and deliver diverse solutions for data driven R&D.
Achintya Das
Head of Computational &
Data Sciences, Syngene
Vikas Shirsath
Vice President & Head of Discovery Chemistry, Syngene
Vikas currently heads the Discovery chemistry team of Syngene and has over 22 years of experience in delivering superior business results in Drug Discovery Innovation and Development Services. Medicinal chemist with Drug Discovery experience in NCE’s as well as CRO environment. His specialties are lead discovery, early pre-clinical development, route scouting, process development, IND and intellectual property (over 25 International publications and more than 110 granted national phase patents).
Vishwottam is a Pharmaceutical Candidate Optimization and Clinical Pharmacokineticist with 25 years of extensive international research experience in hunting more than 50 drug targets; Neuroscience, Metabolic Disorders, Pain, Inflammation, Cardiovascular, Gastroenterology, Respiratory, immuno-oncology and Anti-Infective Research encompassing GPCRs, Enzymes, Kinases and Ion-channel Modulators. He has successfully lead discovery and optimization of 13 NCE’s from bench to early clinical trials as key contributor and has credit of 11 US patents as key contributor. He has published 90 original research and reviews in leading international and high impact journals, presented 80 scientific posters in 30 global scientific conferences. He built and lead research laboratories, cross functional role in drug discovery and development. Appreciated leader with proven ability to establish, employ, mentor and achieve goals. Design and submission of regulatory dossiers (IND’S, FIH Studies, BE & TX Regulatory Packages) & achieved facility approvals.
Vishwottam Kandikere
Head of DMPK, Syngene
Santosh Kulkarni
Head of Medicinal Chemistry - Discovery Chemistry, Syngene
Santosh has long experience in drug discovery and led programs in small molecules from early hit identification to candidate selection. He has worked on discovery programs on wide target classes: Enzymes, GPCRs, PPIs and Transporters using different modalities of small molecule, degraders, peptides and ADCs. He has experience in working with discovery technologies, CADD and AI. He has published over 25 publications and is a co-inventor on 40 patents.
About Syngene
Syngene International Ltd. is an integrated research, development, and manufacturing services company serving the global pharmaceutical, biotechnology, nutrition, animal health, consumer goods, and specialty chemical sectors. Syngene’s more than 5200 scientists offer both skills and the capacity to deliver great science, robust data management, and IP security and quality manufacturing at speed to improve time-to-market and lower the cost of innovation. With a combination of dedicated research facilities for Amgen, Baxter, and Bristol-Myers Squibb as well as 2 Mn sq. ft of specialist discovery, development, and manufacturing facilities, Syngene works with biotech companies pursuing leading-edge science as well as multinationals, including GSK, Zoetis, and Merck KGaA.
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