Center for Research Innovation in Biotechnology, Washington University in St Louis, MO 63130, USA.
Center for Research Innovation in Biotechnology, Washington University in St Louis, MO 63130, USA.
Drug Discov Today. 2019 Apr;24(4):1010-1016. doi: 10.1016/j.drudis.2019.01.010. Epub 2019 Jan 25.
Several public databases have emerged over the past decade to enable chemo- and bio-informatics research in the field of drug development. To a naive observer, as well as many seasoned professionals, the differences among many drug databases are unclear. We assessed the availability of all pharmaceuticals with evidence of clinical testing (i.e., been in at least a Phase I clinical trial) and highlight the major differences and similarities between public databases containing clinically tested pharmaceuticals. We review a selection of the most recent and prominent databases including: ChEMBL, CRIB NME, DrugBank, DrugCentral, PubChem, repoDB, SuperDrug2 and WITHDRAWN, and found that ∼11700 unique active pharmaceutical ingredients are available in the public domain, with evidence of clinical testing.
过去十年中出现了多个公共数据库，以支持药物开发领域的化学和生物信息学研究。对于一个天真的观察者，以及许多经验丰富的专业人士来说，许多药物数据库之间的差异并不清楚。我们评估了所有具有临床测试证据的药物（即至少进行了 I 期临床试验）的可用性，并强调了包含经过临床测试药物的公共数据库之间的主要差异和相似之处。我们回顾了包括 ChEMBL、CRIB NME、DrugBank、DrugCentral、PubChem、repoDB、SuperDrug2 和 WITHDRAWN 在内的一些最新和最著名的数据库，发现约有 11700 种具有临床测试证据的独特活性药物成分可在公共领域获得。
