| 书目名称 | Fundamental Principles of Molecular Modeling | | 编辑 | Werner Gans,Anton Amann,Jan C. A. Boeyens | | 视频video | | | 图书封面 |  | | 描述 | Molecular similarity has always been an important conceptualtool of chemists, yet systematic approaches to molecular similarityproblems have only recently been recognized as a major contributor toour understanding of molecular properties. Advanced approaches tomolecular similarity analysis have their foundation in quantumsimilarity measures, and are important direct or indirect contributorsto some of the predictive theoretical, computational, and alsoexperimental methods of modern chemistry. .This volume provides a survey of the foundations and the contemporarymathematical and computational methodologies of molecular similarityapproaches, where special emphasis is given to applications ofsimilarity studies to a range of practical and industriallysignificant fields, such as pharmaceutical drug design. .The authors of individual chapters are leading experts in varioussub-fields of molecular similarity analysis and the relatedfundamental theoretical chemistry topics, as well as the relevantcomputational and experimental methodologies. Whereas in each chapterthe emphasis is placed on a different area, nevertheless, the overallcoverage and the wide scope of the book provides the reader | | 出版日期 | Book 1996 | | 关键词 | bonding; chemical structure; chemistry; crystal; crystallization; crystallography; hydrogen; iron; metals; st | | 版次 | 1 | | doi | https://doi.org/10.1007/978-1-4899-0212-2 | | isbn_softcover | 978-1-4899-0214-6 | | isbn_ebook | 978-1-4899-0212-2 | | copyright | Springer Science+Business Media New York 1996 |
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发表于 2025-3-21 18:19:46
