MEMES: Machine learning framework for Enhanced MolEcular Screening release_aqxn7wxzujd5fdzuqn5rkphfpa

by Sarvesh Mehta, Siddhartha Laghuvarapu, Yashaswi Pathak, Aaftaab Sethi, Mallika Alvala, U. Deva Deva Priyakumar

Published in Chemical Science by Royal Society of Chemistry (RSC).

2021   Volume 12, Issue 35, p11710-11721

Abstract

In drug discovery applications, high throughput virtual screening exercises are routinely performed to determine an initial set of candidate molecules referred to as "hits". In such an experiment, each molecule...
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Type  article-journal
Stage   published
Date   2021-07-26
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DOI  10.1039/d1sc02783b
PubMed  34659706
PMC  PMC8442698
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