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"Active Learning Guided Drug Design Lead Optimization Based on Relative ..."

Filipp Gusev et al. (2023)

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DOI: 10.1021/ACS.JCIM.2C01052

access: closed

type: Journal Article

metadata version: 2023-10-05

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Filipp Gusev, Evgeny Gutkin, Maria G. Kurnikova, Olexandr Isayev:
Active Learning Guided Drug Design Lead Optimization Based on Relative Binding Free Energy Modeling. J. Chem. Inf. Model. 63(2): 583-594 (2023)

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