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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 Discovery

B. 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)
DOI: 10.3389/fphar.2022.833099

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Comparative analysis of machine learning techniques for the prediction of logPE. Lowe, M. Butkiewicz, M. Spellings, A. Omlor, and J. Meiler. 2011 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), (April 2011)3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulatorsE. Lowe, A. Ferrebee, A. Rodriguez, P. Conn, and J. Meiler. Bioorganic & Medicinal Chemistry Letters, 20 (19): 5922â5924 (October 2010)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)Bcl&#x2237;ChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimerâs DiseaseM. Butkiewicz, E. Lowe, and J. Meiler. 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), (May 2012)BCL::EMAS â Enantioselective Molecular Asymmetry Descriptor for 3D-QSARG. Sliwoski, E. Lowe, M. Butkiewicz, and J. Meiler. Molecules, 17 (8): 9971â9989 (August 2012)Computational Methods in Drug DiscoveryG. Sliwoski, S. Kothiwale, J. Meiler, and E. Lowe. Pharmacological Reviews, 66 (1): 334â395 (December 2013)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)

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