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Autoparty: Machine Learning-Guided Visual Inspection of Molecular Docking Results.

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Title: Autoparty: Machine Learning-Guided Visual Inspection of Molecular Docking Results.
Authors: Shub L; Department of Pharmaceutical Chemistry, Institute for Neurodegenerative Diseases, University of California, San Francisco, San Francisco, California 94158, United States.; Department of Bioengineering and Therapeutic Sciences, Bakar Health Sciences Institute; Kavli Institute for Fundamental Neuroscience, University of California, San Francisco, San Francisco, California 94158, United States., Korczynska M; Medicine Design, Pfizer Research & Development, Cambridge, Massachusetts 02139, United States., Muir DF; Department of Pharmaceutical Chemistry, Institute for Neurodegenerative Diseases, University of California, San Francisco, San Francisco, California 94158, United States.; Department of Bioengineering and Therapeutic Sciences, Bakar Health Sciences Institute; Kavli Institute for Fundamental Neuroscience, University of California, San Francisco, San Francisco, California 94158, United States., Lin FY; Medicine Design, Pfizer Research & Development, Cambridge, Massachusetts 02139, United States., Hall BW; Department of Pharmaceutical Chemistry, Institute for Neurodegenerative Diseases, University of California, San Francisco, San Francisco, California 94158, United States.; Department of Bioengineering and Therapeutic Sciences, Bakar Health Sciences Institute; Kavli Institute for Fundamental Neuroscience, University of California, San Francisco, San Francisco, California 94158, United States., Mathiowetz AM; Medicine Design, Pfizer Research & Development, Cambridge, Massachusetts 02139, United States., Keiser MJ; Department of Pharmaceutical Chemistry, Institute for Neurodegenerative Diseases, University of California, San Francisco, San Francisco, California 94158, United States.; Department of Bioengineering and Therapeutic Sciences, Bakar Health Sciences Institute; Kavli Institute for Fundamental Neuroscience, University of California, San Francisco, San Francisco, California 94158, United States.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2025 Aug 11; Vol. 65 (15), pp. 7817-7826. Date of Electronic Publication: 2025 Jul 29.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
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  Data: <searchLink fieldCode="AU" term="%22Shub+L%22">Shub L</searchLink>; Department of Pharmaceutical Chemistry, Institute for Neurodegenerative Diseases, University of California, San Francisco, San Francisco, California 94158, United States.; Department of Bioengineering and Therapeutic Sciences, Bakar Health Sciences Institute; Kavli Institute for Fundamental Neuroscience, University of California, San Francisco, San Francisco, California 94158, United States.<br /><searchLink fieldCode="AU" term="%22Korczynska+M%22">Korczynska M</searchLink>; Medicine Design, Pfizer Research & Development, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Muir+DF%22">Muir DF</searchLink>; Department of Pharmaceutical Chemistry, Institute for Neurodegenerative Diseases, University of California, San Francisco, San Francisco, California 94158, United States.; Department of Bioengineering and Therapeutic Sciences, Bakar Health Sciences Institute; Kavli Institute for Fundamental Neuroscience, University of California, San Francisco, San Francisco, California 94158, United States.<br /><searchLink fieldCode="AU" term="%22Lin+FY%22">Lin FY</searchLink>; Medicine Design, Pfizer Research & Development, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Hall+BW%22">Hall BW</searchLink>; Department of Pharmaceutical Chemistry, Institute for Neurodegenerative Diseases, University of California, San Francisco, San Francisco, California 94158, United States.; Department of Bioengineering and Therapeutic Sciences, Bakar Health Sciences Institute; Kavli Institute for Fundamental Neuroscience, University of California, San Francisco, San Francisco, California 94158, United States.<br /><searchLink fieldCode="AU" term="%22Mathiowetz+AM%22">Mathiowetz AM</searchLink>; Medicine Design, Pfizer Research & Development, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Keiser+MJ%22">Keiser MJ</searchLink>; Department of Pharmaceutical Chemistry, Institute for Neurodegenerative Diseases, University of California, San Francisco, San Francisco, California 94158, United States.; Department of Bioengineering and Therapeutic Sciences, Bakar Health Sciences Institute; Kavli Institute for Fundamental Neuroscience, University of California, San Francisco, San Francisco, California 94158, United States.
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        Value: 10.1021/acs.jcim.5c00850
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              Text: 2025 Aug 11
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