DrugCentral 2021 supports drug discovery and repositioning.

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），如先前论文所述，它通过提供最新的药物信息为科学界服务。当前版本包括美国、欧洲、日本和其他国家109种新批准（2018年10月至2020年3月）的活性药物成分；以及两种与新冠病毒（COVID - 19）有关的分子实体（例如美氟帕利）。新增内容包括约1000种药物的一组药代动力学特性，以及从FAERS（美国食品药品监督管理局不良事件报告系统）处理得到的基于性别的副作用分类；还有一种基于美国食品药品监督管理局批准药物的市场可获得性和知识产权的药物重新定位优先排序方案。在新冠疫情背景下，我们还纳入了REDIAL - 2020，这是一个评估抗新冠病毒（SARS - CoV - 2）活性的机器学习平台，并且“新闻中的药物”功能简要列举了当前最受关注的药物。完整的数据库转储和数据文件可从DrugCentral网站门户下载。