书目名称 | Molecular Quantum Similarity in QSAR and Drug Design |
编辑 | Ramon Carbó-Dorca,David Robert,Emili Besalú |
视频video | |
丛书名称 | Lecture Notes in Chemistry |
图书封面 |  |
描述 | The authors introduce the concept of Molecular Quantum Similarity, developed in their laboratory, in a didactic form. The basis of the concept combines quantum theoretical calculations with molecular structure and properties even for large molecules. They give definitions and procedures to compute similarities molecules and provide graphical tools for visualization of sets of molecules as n-dimensional point charts. |
出版日期 | Book 2000 |
关键词 | Density Functions; Maxima; Molecular Similarity; Similarity Indices; Visualization of Molecular Point Cl |
版次 | 1 |
doi | https://doi.org/10.1007/978-3-642-57273-9 |
isbn_softcover | 978-3-540-67581-5 |
isbn_ebook | 978-3-642-57273-9Series ISSN 0342-4901 Series E-ISSN 2192-6603 |
issn_series | 0342-4901 |
copyright | Springer-Verlag Berlin Heidelberg 2000 |