Fifteen years of ChEMBL and its role in cheminformatics and drug discovery

IF 5.7 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Journal of Cheminformatics Pub Date : 2025-03-10 DOI:10.1186/s13321-025-00963-z
Barbara Zdrazil
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Abstract

In October 2024 we celebrated the 15th anniversary of the first launch of ChEMBL, Europe’s most impactful, open-access drug discovery database, hosted by EMBL’s European Bioinformatics Institute (EMBL-EBI). This is a good moment to reflect on ChEMBL’s history, the role that ChEMBL plays in Cheminformatics and Drug Discovery as well as innovations accelerated using data extracted from it. The review closes by discussing current challenges and possible directions that need to be taken to guarantee that ChEMBL continues to be the pioneering resource for highly curated, open bioactivity data on the European continent and beyond.

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十五年的ChEMBL及其在化学信息学和药物发现中的作用
2024年10月,我们庆祝了ChEMBL首次推出15周年,ChEMBL是欧洲最具影响力的开放获取药物发现数据库,由EMBL的欧洲生物信息学研究所(EMBL- ebi)主办。这是一个回顾ChEMBL历史的好时机,ChEMBL在化学信息学和药物发现以及使用从中提取的数据加速创新方面所发挥的作用。审查结束时,讨论了当前的挑战和可能采取的方向,以确保ChEMBL继续成为欧洲大陆及其他地区高度管理、开放的生物活性数据的先驱资源。
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来源期刊
Journal of Cheminformatics
Journal of Cheminformatics CHEMISTRY, MULTIDISCIPLINARY-COMPUTER SCIENCE, INFORMATION SYSTEMS
CiteScore
14.10
自引率
7.00%
发文量
82
审稿时长
3 months
期刊介绍: Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling. Coverage includes, but is not limited to: chemical information systems, software and databases, and molecular modelling, chemical structure representations and their use in structure, substructure, and similarity searching of chemical substance and chemical reaction databases, computer and molecular graphics, computer-aided molecular design, expert systems, QSAR, and data mining techniques.
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