第八届化学信息学秋季学校回顾。

IF 2.8 4区医学 Q3 CHEMISTRY, MEDICINAL Molecular Informatics Pub Date : 2024-10-15 DOI:10.1002/minf.202400037

Johann Gasteiger

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引用次数: 0

摘要

本文概述了 2023 年 11 月 28-30 日在日本奈良举办的第八届化学信息学秋季学校的演讲和海报。主题范围从化学反应研究到药物设计，从化学语言模型和电子结构信息学的使用到材料建模。此外，还简要介绍了约翰-加斯泰格（Johann Gasteiger）50 年来在化学信息学方面的工作，重点介绍了他在科学生涯中做出的重要决定。

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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Review of the 8^th autumn school in chemoinformatics.

This paper gives an overview of the lectures and posters presented at the 8th Autumn School in Chemoinformatics held in Nara, Japan on 28th - 30th November 2023. The topics ranged from the study of chemical reactions through drug design and the use of Chemical Language Models and electronic structure informatics to the modeling of materials. In addition, a brief overview of the 50 years of work in chemoinformatics by Johann Gasteiger is given with an emphasis on the essential decisions during his scientific career.

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来源期刊

Molecular Informatics CHEMISTRY, MEDICINAL-MATHEMATICAL & COMPUTATIONAL BIOLOGY

CiteScore

7.30

自引率

2.80%

发文量

审稿时长

3 months

期刊介绍： Molecular Informatics is a peer-reviewed, international forum for publication of high-quality, interdisciplinary research on all molecular aspects of bio/cheminformatics and computer-assisted molecular design. Molecular Informatics succeeded QSAR & Combinatorial Science in 2010. Molecular Informatics presents methodological innovations that will lead to a deeper understanding of ligand-receptor interactions, macromolecular complexes, molecular networks, design concepts and processes that demonstrate how ideas and design concepts lead to molecules with a desired structure or function, preferably including experimental validation. The journal''s scope includes but is not limited to the fields of drug discovery and chemical biology, protein and nucleic acid engineering and design, the design of nanomolecular structures, strategies for modeling of macromolecular assemblies, molecular networks and systems, pharmaco- and chemogenomics, computer-assisted screening strategies, as well as novel technologies for the de novo design of biologically active molecules. As a unique feature Molecular Informatics publishes so-called "Methods Corner" review-type articles which feature important technological concepts and advances within the scope of the journal.