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Combining Metabolite-Based Pharmacophores with Bayesian Machine Learning Models for Mycobacterium tuberculosis Drug Discovery.

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Title: Combining Metabolite-Based Pharmacophores with Bayesian Machine Learning Models for Mycobacterium tuberculosis Drug Discovery.
Authors: Ekins S; Collaborative Drug Discovery Inc., 1633 Bayshore Highway, Suite 342, Burlingame, CA, 94010, United States of America; Collaborations in Chemistry, 5616 Hilltop Needmore Road, Fuquay-Varina, NC, 27526, United States of America., Madrid PB; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America., Sarker M; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America., Li SG; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America., Mittal N; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America., Kumar P; Department of Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America., Wang X; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America., Stratton TP; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America., Zimmerman M; Public Health Research Institute, Rutgers University-New Jersey Medical School, Newark, NJ, 07103, United States of America., Talcott C; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America., Bourbon P; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America., Travers M; Collaborative Drug Discovery Inc., 1633 Bayshore Highway, Suite 342, Burlingame, CA, 94010, United States of America., Yadav M; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America., Freundlich JS; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America.
Source: PloS one [PLoS One] 2015 Oct 30; Vol. 10 (10), pp. e0141076. Date of Electronic Publication: 2015 Oct 30 (Print Publication: 2015).
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Ekins+S%22">Ekins S</searchLink>; Collaborative Drug Discovery Inc., 1633 Bayshore Highway, Suite 342, Burlingame, CA, 94010, United States of America; Collaborations in Chemistry, 5616 Hilltop Needmore Road, Fuquay-Varina, NC, 27526, United States of America.<br /><searchLink fieldCode="AU" term="%22Madrid+PB%22">Madrid PB</searchLink>; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America.<br /><searchLink fieldCode="AU" term="%22Sarker+M%22">Sarker M</searchLink>; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America.<br /><searchLink fieldCode="AU" term="%22Li+SG%22">Li SG</searchLink>; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America.<br /><searchLink fieldCode="AU" term="%22Mittal+N%22">Mittal N</searchLink>; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America.<br /><searchLink fieldCode="AU" term="%22Kumar+P%22">Kumar P</searchLink>; Department of Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America.<br /><searchLink fieldCode="AU" term="%22Wang+X%22">Wang X</searchLink>; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America.<br /><searchLink fieldCode="AU" term="%22Stratton+TP%22">Stratton TP</searchLink>; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America.<br /><searchLink fieldCode="AU" term="%22Zimmerman+M%22">Zimmerman M</searchLink>; Public Health Research Institute, Rutgers University-New Jersey Medical School, Newark, NJ, 07103, United States of America.<br /><searchLink fieldCode="AU" term="%22Talcott+C%22">Talcott C</searchLink>; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America.<br /><searchLink fieldCode="AU" term="%22Bourbon+P%22">Bourbon P</searchLink>; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America.<br /><searchLink fieldCode="AU" term="%22Travers+M%22">Travers M</searchLink>; Collaborative Drug Discovery Inc., 1633 Bayshore Highway, Suite 342, Burlingame, CA, 94010, United States of America.<br /><searchLink fieldCode="AU" term="%22Yadav+M%22">Yadav M</searchLink>; SRI International, 333 Ravenswood Avenue, Menlo Park, CA, 94025, United States of America.<br /><searchLink fieldCode="AU" term="%22Freundlich+JS%22">Freundlich JS</searchLink>; Departments of Pharmacology & Physiology and Medicine, Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Avenue, Newark, NJ, 07103, United States of America.
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