| 书目名称 | Fundamentals of Molecular Similarity | | 编辑 | Ramon Carbó-Dorca,Xavier Gironés,Paul G. Mezey | | 视频video | | | 丛书名称 | Mathematical and Computational Chemistry | | 图书封面 |  | | 描述 | In recent years the fundamental concepts and appliedmethodologies of molecular similarity analysis have experienced arevolutionary development..Motivated by the increased degree of understanding of elementarymolecular properties on the levels ranging from fundamental quantumchemistry to the complex interactions of biomolecules, and aided bythe spectacular progress in computer technology and access to computerpower, the area has opened up to many new ideas and newapproaches..This book covers topics in quantum similarity approaches, electrondensity shape analysis methods, and it provides better theoreticalunderstanding of molecular similarity. Additionally, quantitativeshape analysis, especially activity relations (QShAR) and theprediction of the pharmacological or toxicological effects ofmolecules in the related context of quantum QSAR (QQSAR). .This volume written by the experts in the various subfields ofmolecular similarity, provides a collection of the most recent ideas,advances, and methodologies. It is the hope of the Editors that byrepresenting these topics within a single volume, the readers willfind a balanced overview of the status of the field. We also hope thatthe book w | | 出版日期 | Book 2001 | | 关键词 | chemical structure; databases; quantum chemistry; structure; ecotoxicology | | 版次 | 1 | | doi | https://doi.org/10.1007/978-1-4757-3273-3 | | isbn_softcover | 978-1-4419-3344-7 | | isbn_ebook | 978-1-4757-3273-3Series ISSN 1568-217X | | issn_series | 1568-217X | | copyright | Springer-Verlag US 2001 |
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发表于 2025-3-21 17:35:15
