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

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Bibliographic Details
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
Database: MEDLINE Ultimate
Description
ISSN:1549-960X
DOI:10.1021/acs.jcim.3c02015