General purpose structure-based drug discovery neural network score functions with human-interpretable pharmacophore maps

BP Brown, J Mendenhall, AR Geanes… - Journal of chemical …, 2021 - ACS Publications
The BioChemical Library (BCL) is an academic open-source cheminformatics toolkit
comprising ligand-based virtual high-throughput screening (vHTS) tools such as quantitative …
被引用次数：34 相关文章

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

BP Brown, J Mendenhall… - Journal of chemical …, 2021 - pubmed.ncbi.nlm.nih.gov
The BioChemical Library (BCL) is an academic open-source cheminformatics toolkit
comprising ligand-based virtual high-throughput screening (vHTS) tools such as quantitative …

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

BP Brown, J Mendenhall, AR Geanes… - Journal of Chemical …, 2021 - europepmc.org
The BioChemical Library (BCL) is an academic open-source cheminformatics toolkit
comprising ligand-based virtual high-throughput screening (vHTS) tools such as quantitative …
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[HTML][HTML] General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps

BP Brown, J Mendenhall, AR Geanes… - Journal of Chemical …, 2021 - ncbi.nlm.nih.gov
The BioChemical Library (BCL) is an academic open-source cheminformatics toolkit
comprising ligand-based virtual high-throughput screening (vHTS) tools such as quantitative …