SPOTLIGHT: Structure-based Prediction and Optimization Tool for LIgand Generation on Hard-to-drug Targets – Combining Deep Reinforcement Learning with Physics-based de novo Drug Design

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D3DD00194F, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Venkata Sai Sreyas Adury, Arnab MukherjeeWe present SPOTLIGHT …