General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps - researchr publication

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Benjamin P. Brown, Jeffrey L. Mendenhall, Alexander R. Geanes, Jens Meiler. General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps. Journal of Chemical Information and Computer Sciences, 61(2):603-620, 2021. [doi]

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