April 15, 2024 In Unkategorisiert
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
DOI: 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 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…
The content of this RSS Feed (c) The Royal Society of Chemistry
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…
The content of this RSS Feed (c) The Royal Society of Chemistry
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