Course Details

  • Date: May 25th, 2021 - May 25th, 2021
  • Time: 1:00 pm - 2:00 pm
  • Location: Online Webinar
  • Presenter(s): Jonathan Allen (LLNL)

Meeting Link:

TOPIC: AI in Drug Development, presented by the ATOM consortium

In this class, we will introduce basic concepts in building small molecule property prediction using machine learning models trained on data collected from experimental assays. Practical challenges will be considered, starting with limitations in data collection and curation through to model selection for property prediction applications. The ATOM (Accelerating Therapeutics for Opportunities in Medicine) Modeling Pipeline (AMPL) will be used to provide concrete examples for building models and data visualization.