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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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