Conference

AI in Drug Discovery USA

CalendarDate & Time
  • October 21st-22nd, 2024
LocationLocation
  • Boston, Massachusetts

Schrödinger is excited to be participating in the AI in Drug Discovery USA conference taking place on October 21st – 22nd in Boston, Massachusetts. Join us for a presentation by Karl Leswing, Executive Director, Machine Learning at Schrödinger, titled “Latest advancements in machine learning-enhanced in silico design: Impact on a pipeline of drug discovery programs.”

Speaker:

Karl Leswing, Executive Director, Machine Learning, Schrödinger

Key Learning Objectives:

  • Using active learning with FEP+ for large-scale in silico fragment screens in hit discovery
  • Applying de novo design workflows for intelligent molecular core design
  • Leveraging experimental data for enhancing ADMET profiles in lead optimization using an interactive ML dashboard

Karl Leswing

Executive Director, Machine Learning, Schrödinger

Karl Leswing is the Executive Director for Machine Learning at Schrödinger. In this role he oversees the research and execution of machine learning applications for Schrödinger’s digital chemistry platform. In 2017 he was a visiting researcher at the Pande Lab working on using deep learning techniques for drug discovery. During that time he co-authored MoleculeNet, a benchmarking paper analyzing machine learning techniques for chemoinformatics. Karl received his undergraduate degree from the University of Virginia, and a Master’s in machine learning from Georgia Tech.