Chemoinformatics: A Textbook
Chemoinformatics: A Textbook
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化学信息学：教科书
DOI：
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发表时间：
2003
期刊：
影响因子：
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通讯作者：
Thomas Engel
中科院分区：
文献类型：
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作者：
J. Gasteiger;Thomas Engel
这是第一部完全致力于这一日益重要的领域的工作，“教科书”提供了这一令人兴奋的新领域的深入和全面的概述。本书由约翰·加斯泰格和托马斯·恩格尔编辑，介绍了分子结构和反应的表示、数据类型和数据库/数据源、搜索方法、数据分析方法以及结构阐明、反应模拟、合成计划和药物设计等应用。一个“动手”的方法，一步一步的教程和软件工具和互联网资源的详细描述，允许新手，高级用户和讲师轻松访问。有关更详细的介绍，请参阅“化学信息学手册”，该手册将单独出版。
This first work to be devoted entirely to this increasingly important field, the "Textbook" provides both an in-depth and comprehensive overview of this exciting new area. Edited by Johann Gasteiger and Thomas Engel, the book provides an introduction to the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as such applications as structure elucidation, reaction simulation, synthesis planning and drug design. A "hands-on" approach with step-by-step tutorials and detailed descriptions of software tools and Internet resources allows easy access for newcomers, advanced users and lecturers alike. For a more detailed presentation, users are referred to the "Handbook of Chemoinformatics", which will be published separately.