Milestones in chemoinformatics: global view of the field

IF 7.1 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Cheminformatics Pub Date : 2024-11-05 DOI:10.1186/s13321-024-00922-0

Jürgen Bajorath

引用次数: 0

Abstract

Over the past ~ 25 years, chemoinformatics has evolved as a scientific discipline, with a strong foundation in pharmaceutical research and scientific roots that can be traced back to the late 1950s. It covers a wide methodological spectrum and is perhaps best positioned in the greater context of chemical information science. Herein, the chemoinformatics discipline is delineated, characteristic (and partly problematic) features are discussed, and a global view of the field is provided, emphasizing key developments.

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化学信息学的里程碑：该领域的全球视野。

在过去的 25 年中，化学信息学作为一门科学学科不断发展，它在制药研究方面有着坚实的基础，其科学渊源可追溯到 20 世纪 50 年代末。它涵盖了广泛的方法论范围，也许最适合放在化学信息科学的大背景下进行研究。本文对化学信息学学科进行了划分，讨论了该学科的特点（部分存在问题），并提供了该领域的全球视角，强调了主要的发展动态。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Cheminformatics CHEMISTRY, MULTIDISCIPLINARY-COMPUTER SCIENCE, INFORMATION SYSTEMS

CiteScore

14.10

自引率

7.00%

发文量

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.