DrugCentral 2021 支持药物发现和再定位。
DrugCentral 2021 supports drug discovery and repositioning.
机构信息
Department of Computational Chemistry, "Coriolan Dragulescu'' Institute of Chemistry, 24 Mihai Viteazu Blvd, Timişoara, Timiş, 300223, România.
Translational Informatics Division, Department of Internal Medicine, University of New Mexico Health Sciences Center, Albuquerque, NM 87131, USA.
出版信息
Nucleic Acids Res. 2021 Jan 8;49(D1):D1160-D1169. doi: 10.1093/nar/gkaa997.
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 ∼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.
DrugCentral 是一个公共资源（http://drugcentral.org），通过提供最新的药物信息为科学界服务，正如之前的论文中所描述的。当前版本包含了美国、欧洲、日本和其他国家的 109 种新批准的（2018 年 10 月至 2020 年 3 月）活性药物成分；以及两种用于 COVID19 的分子实体（例如 mefuparib）。新增加的内容包括约 1000 种药物的一组药代动力学特性，以及从 FAERS（FDA 不良事件报告系统）处理的基于性别差异的副作用分离；以及基于 FDA 批准药物的市场可用性和知识产权的药物重新定位优先级方案。在 COVID19 大流行的背景下，我们还纳入了 REDIAL-2020，这是一个用于估计抗 SARS-CoV-2 活性的机器学习平台，以及“新闻中的药物”功能提供了目前最有趣的药物的简要列举。完整的数据库转储和数据文件可从 DrugCentral 门户网站下载。
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