Drug Discovery Using Machine Learning

Leon Gerard, 20. Oct 2022

Using Machine Learning for drug discovery has a huge potential to reduce cost and time to discover new drugs. In the talk a short and simplified introduction into the drug discovery pipeline is given and discussed on a specific case study for cancer. The main part of the talk consists of a detailed analysis of an approach called EquiBind to predict the 3D protein-ligand complex. All information are based on the works of Stärk et al., Ganea et al. and Lanman et al.