AI | Bioinformatics | Drug Discovery | Machine Learning | News | Paper Summary | Structural Biology | Trending
Transforming Fragment-based Drug Design: Stanford’s FRAME Employs Machine Learning to Expand Fragments into Ideal Ligands
Stanford University researchers developed FRAME (Fragment-Based Molecular Expansion), a machine learning framework that uses three-dimensional structures of interactions between proteins and ligands to facilitate drug design based on ‘fragments.’ Fragments are singular chemical groups that are added to ligands for the purpose of performing lead optimization tasks and improving their properties. Ligands are small molecules…