Computer aided molecular design [electronic resource] : theory and practice / edited by Luke E.K. Achenie, Rafiqul Gani, Venkat Venkatasubramanian.
- 其他作者：
- 出版： Amsterdam ;Boston : Elsevier 2003.
- 叢書名： Computer-aided chemical engineering ;12
- 主題： Molecules--Models--Data processing. , Molecular structure--Data processing.
- 版本：1st ed.
- ISBN： 9780444512833 (electronic bk.) 、 9780444512833
- URL：
電子書
- 書目註：Includes bibliographical references and indexes.
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讀者標籤：
- 系統號： 005212459 | 機讀編目格式
館藏資訊
CAMD or Computer Aided Molecular Design refers to the design of molecules with desirable properties. That is, through CAMD, one determines molecules that match a specified set of (target) properties. CAMD as a technique has a very large potential as in principle, all kinds of chemical, bio-chemical and material products can be designed through this technique. This book mainly deals with macroscopic properties and therefore does not cover molecular design of large, complex chemicals such as drugs. While books have been written on computer aided molecular design relating to drugs and large complex chemicals, a book on systematic formulation of CAMD problems and solutions, with emphasis on theory and practice, which helps one to learn, understand and apply the technique is currently unavailable. · This title brings together the theoretical aspects related to Computer Aided Molecular Design, the different techniques that have been developed and the different applications that have been reported. · Contributing authors are among the leading researchers and users of CAMD · First book available giving a systematic formulation of CAMD problems and solutions