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

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April 18, 2024 In Unkategorisiert By Venkata Sai Sreyas Adury

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, 3,705-718
DOI: 10.1039/D3DD00194F, Paper
Open Access Open Access
Venkata Sai Sreyas Adury, Arnab Mukherjee
SPOTLIGHT: a method capable of designing a diverse set of novel drug molecules through a combination of rule-based learning and reinforcement learning.
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