NIPS 2018 Expo Workshop
Nov. 28, 2022
Machine Learning for Drug discovery and Biomarker development
Sponsor: Insilico Medicine, Inc.
Alex Zhebrak (Insilico Medicine), Thomas Kipf (University of Amsterdam), Daniil Polykovskiy (Insilico Medicine), Benjamin Sanchez-Lengeling (Harvard University), Polina Mamoshina (Oxford University)
Insilico Medicine is one of the leaders in the field of machine learning for drug discovery and aging research. In this workshop, we will discuss how scientists apply novel machine learning models and techniques to accelerate drug discovery and biomarker development—a rapidly emerging field that holds the potential to disrupt the pharmaceutical industry. We will review several impactful research papers, recent advancements, and new challenges in the field. We will also organize a discussion about different representations of molecular entities and available frameworks and benchmarks for de-novo drug discovery problem.
This workshop is a chance to bring machine learning, chemistry, and bioinformatics researchers together to discuss challenging problems of Drug Discovery and Biomarker Development.
14:00-14:30 Alex Zhebrak, Insilico Medicine Introduction to Insilico Medicine and machine learning for drug discovery
14:30-15:00 Thomas Kipf, University of Amsterdam Structured deep models: Deep learning on graphs and beyond
15:00-15:30 Benjamin Sanchez-Lengeling, Harvard University
15:30-16:00 Polina Mamoshina, University of Oxford Machine learning for biomarkers of drug responses and human aging
16:00-16:30 Coffee Break
16:30-17:30 Daniil Polykovskiy, Insilico Medicine Generative models for drug discovery
17:30-18:10 Alex Zhavoronkov, Insilico Medicine Fight Aging to Defeat Cancer
18:10-18:30 Open Discussion