Ersilia Book

ML for Drug Discovery

We have developed a 4-day training course on the applications of AI/ML to infectious disease drug discovery aimed at chemists and biologists who want to apply the insights of AI/ML models to their work.
The course contents are divided as follows:
  • Introduction to Drug Discovery and working with Chemistry data
  • Introduction to ML basics and model outputs
  • ADMET tools
  • Open Science and generative models
Each block content is organised as a full day session, including keynote lectures, hands-on training and breakout sessions. If you cannot attend a live course, we recommend using the materials for self-learning. All relevant content and links, as well as extra materials, can be found in the Event Fund webpage.
All content is released under a CC-BY-4 license.