SPOTLIGHT: Construction-based Prediction and Optimization Software for LIgand Era on Arduous-to-drug Objectives – Combining Deep Reinforcement Finding out with Physics-based de novo Drug Design

Digital Discovery, 2024, Accepted Manuscript
DOI: 10.1039/D3DD00194F, Paper

Open Access

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Venkata Sai Sreyas Adury, Arnab Mukherjee
We present SPOTLIGHT – a proof-of-concept for a method capable of designing a diverse set of novel drug molecules through a rule-based approach. The model constructs molecules atom-by-atom directly at…
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