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Machine Learning Models Identify Inhibitors of New Delhi Metallo-β-lactamase.

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Title: Machine Learning Models Identify Inhibitors of New Delhi Metallo-β-lactamase.
Authors: Cheng Z; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Aitha M; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville ,Maryland 20850, United States., Thomas CA; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Sturgill A; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Fairweather M; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Hu A; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Bethel CR; Research Service, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States., Rivera DD; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States., Dranchak P; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville ,Maryland 20850, United States., Thomas PW; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States., Li H; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Feng Q; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Tao K; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Song M; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Sun N; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Wang S; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Silwal SB; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Page RC; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Fast W; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States., Bonomo RA; Research Service, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States.; Departments of Medicine, Biochemistry, Molecular Biology and Microbiology, Pharmacology, and Proteomics and Bioinformatics, Case Western Reserve University School of Medicine, Cleveland ,Ohio 44106, United States.; Clinician Scientist Investigator, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States.; CWRU-Cleveland VAMC Center for Antimicrobial Resistance and Epidemiology (Case VA CARES) ,Cleveland ,Ohio 44106, United States., Weese M; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Martinez W; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States., Inglese J; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville ,Maryland 20850, United States.; Metabolic Medicine Branch, National Human Genome Research Institute, National Institutes of Health, Bethesda ,Maryland 20817, United States., Crowder MW; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2024 May 27; Vol. 64 (10), pp. 3977-3991. Date of Electronic Publication: 2024 May 10.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, N.I.H., Extramural; Research Support, N.I.H., Intramural
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: Machine Learning Models Identify Inhibitors of New Delhi Metallo-β-lactamase.
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  Data: <searchLink fieldCode="AU" term="%22Cheng+Z%22">Cheng Z</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Aitha+M%22">Aitha M</searchLink>; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville ,Maryland 20850, United States.<br /><searchLink fieldCode="AU" term="%22Thomas+CA%22">Thomas CA</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Sturgill+A%22">Sturgill A</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Fairweather+M%22">Fairweather M</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Hu+A%22">Hu A</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Bethel+CR%22">Bethel CR</searchLink>; Research Service, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States.<br /><searchLink fieldCode="AU" term="%22Rivera+DD%22">Rivera DD</searchLink>; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States.<br /><searchLink fieldCode="AU" term="%22Dranchak+P%22">Dranchak P</searchLink>; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville ,Maryland 20850, United States.<br /><searchLink fieldCode="AU" term="%22Thomas+PW%22">Thomas PW</searchLink>; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States.<br /><searchLink fieldCode="AU" term="%22Li+H%22">Li H</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Feng+Q%22">Feng Q</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Tao+K%22">Tao K</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Song+M%22">Song M</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Sun+N%22">Sun N</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Wang+S%22">Wang S</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Silwal+SB%22">Silwal SB</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Page+RC%22">Page RC</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Fast+W%22">Fast W</searchLink>; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States.<br /><searchLink fieldCode="AU" term="%22Bonomo+RA%22">Bonomo RA</searchLink>; Research Service, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States.; Departments of Medicine, Biochemistry, Molecular Biology and Microbiology, Pharmacology, and Proteomics and Bioinformatics, Case Western Reserve University School of Medicine, Cleveland ,Ohio 44106, United States.; Clinician Scientist Investigator, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States.; CWRU-Cleveland VAMC Center for Antimicrobial Resistance and Epidemiology (Case VA CARES) ,Cleveland ,Ohio 44106, United States.<br /><searchLink fieldCode="AU" term="%22Weese+M%22">Weese M</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Martinez+W%22">Martinez W</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.<br /><searchLink fieldCode="AU" term="%22Inglese+J%22">Inglese J</searchLink>; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville ,Maryland 20850, United States.; Metabolic Medicine Branch, National Human Genome Research Institute, National Institutes of Health, Bethesda ,Maryland 20817, United States.<br /><searchLink fieldCode="AU" term="%22Crowder+MW%22">Crowder MW</searchLink>; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2024 May 27; Vol. 64 (10), pp. 3977-3991. <i>Date of Electronic Publication: </i>2024 May 10.
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