April 18, 2024 In Unkategorisiert
SPOTLIGHT: structure-based prediction and optimization device for ligand technology on hard-to-drug objectives – combining deep reinforcement studying with physics-based de novo drug design
Digital Discovery, 2024, 3,705-718DOI: 10.1039/D3DD00194F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Venkata Sai Sreyas Adury, Arnab MukherjeeSPOTLIGHT: a method capable of designing a diverse set of novel drug molecules through a combination of rule-based learning and