Target-driven machine learning-enabled virtual screening (TAME-VS) platform for early-stage hit identification

Target-driven machine learning-enabled virtual screening (TAME-VS) platform for early-stage hit identification

High-throughput screening (HTS) methods enable the empirical evaluation of a large scale of compounds and can be augmented by virtual screening (VS) techniques to save time and money by using potential active compounds for experimental testing. Structure-based and ligand-based virtual screening appr...

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Bibliographic Details
Main Authors: Yuemin Bian, Jason J. Kwon, Cong Liu, Enrico Margiotta, Mrinal Shekhar, Alexandra E. Gould
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-03-01
Series:Frontiers in Molecular Biosciences
Subjects:
hit identification
virtual screening
machine learning
drug discovery
AIDD
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2023.1163536/full

Internet

https://www.frontiersin.org/articles/10.3389/fmolb.2023.1163536/full

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