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

B. Brown, J. Mendenhall, A. Geanes, and J. Meiler. Journal of Chemical Information and Modeling, 61 (2): 603â620 (January 2021)
DOI: 10.1021/acs.jcim.0c01001

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Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug DiscoveryB. Brown, O. Vu, A. Geanes, S. Kothiwale, M. Butkiewicz, E. Lowe, R. Mueller, R. Pape, J. Mendenhall, and J. Meiler. Frontiers in Pharmacology, (February 2022)3D Deep Learning for Biological Function Prediction from Physical FieldsV. Golkov, M. Skwark, A. Mirchev, G. Dikov, A. Geanes, J. Mendenhall, J. Meiler, and D. Cremers. 2020 International Conference on 3D Vision (3DV), (November 2020)Introduction to the BioChemical Library (BCL): An application-based open-source toolkit for integrated cheminformatics and machine learning in computer-aided drug discoveryB. Brown, O. Vu, A. Geanes, S. Kothiwale, M. Butkiewicz, E. Lowe, Jr, R. Mueller, R. Pape, J. Mendenhall, and J. Meiler. Front. Pharmacol., (February 2022)General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore MapsB. Brown, J. Mendenhall, A. Geanes, and J. Meiler. Journal of Chemical Information and Modeling, 61 (2): 603â620 (January 2021)Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypesA. Geanes, H. Cho, K. Nance, K. McGowan, P. Conn, C. Jones, J. Meiler, and C. Lindsley. Bioorganic & Medicinal Chemistry Letters, 26 (18): 4487â4491 (September 2016)

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

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copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps

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