| アブストラクト | DrugCentral is a public resource (http://drugcentral.org) that serves the scientific community by providing up-to-date drug information, as described in previous papers. The current release includes 109 newly approved (October 2018 through March 2020) active pharmaceutical ingredients in the US, Europe, Japan and other countries; and two molecular entities (e.g. mefuparib) of interest for COVID19. New additions include a set of pharmacokinetic properties for approximately 1000 drugs, and a sex-based separation of side effects, processed from FAERS (FDA Adverse Event Reporting System); as well as a drug repositioning prioritization scheme based on the market availability and intellectual property rights forFDA approved drugs. In the context of the COVID19 pandemic, we also incorporated REDIAL-2020, a machine learning platform that estimates anti-SARS-CoV-2 activities, as well as the 'drugs in news' feature offers a brief enumeration of the most interesting drugs at the present moment. The full database dump and data files are available for download from the DrugCentral web portal. |
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| 投稿者 | Avram, Sorin; Bologa, Cristian G; Holmes, Jayme; Bocci, Giovanni; Wilson, Thomas B; Nguyen, Dac-Trung; Curpan, Ramona; Halip, Liliana; Bora, Alina; Yang, Jeremy J; Knockel, Jeffrey; Sirimulla, Suman; Ursu, Oleg; Oprea, Tudor I |
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| 組織名 | Department of Computational Chemistry, "Coriolan Dragulescu'' Institute of;Chemistry, 24 Mihai Viteazu Blvd, Timisoara, Timis, 300223, Romania.;Translational Informatics Division, Department of Internal Medicine, University;of New Mexico Health Sciences Center, Albuquerque, NM 87131, USA.;UNM Comprehensive Cancer Center, University of New Mexico Health Sciences Center,;Albuquerque, NM 87131, USA.;College of Pharmacy, University of New Mexico Health Sciences Center,;National Center for Advancing Translational Science, 9800 Medical Center Drive,;Rockville, MD 20850, USA.;Department of Computer Science, University of New Mexico, Albuquerque, NM 87131,;USA.;Department of Pharmaceutical Sciences, School of Pharmacy, The University of;Texas at El Paso, TX 79902, USA.;Computational and Structural Chemistry, Merck & Co., Inc., 2000 Galloping Hill;Road, Kenilworth, NJ 07033, USA.;Department of Rheumatology and Inflammation Research, Institute of Medicine,;Sahlgrenska Academy at University of Gothenburg, 40530 Gothenburg, Sweden.;Novo Nordisk Foundation Center for Protein Research, Faculty of Health and;Medical Sciences, University of Copenhagen, 2200 Copenhagen, Denmark. |
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