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题名/责任者:

计算机化学与分子设计/范波涛，张瑞生，姚建华著

出版发行项:

北京:高等教育出版社,2009

ISBN及定价:

978-7-04-018296-5 精装/CNY68.00

载体形态项:

490页;26cm

并列正题名:

Computer Chemistry and Molecular Design

个人责任者:

姚建华 著

个人责任者:

张瑞生 著

个人责任者:

范波涛 著

学科主题:

计算机应用-化学-英文

学科主题:

分子结构-设计-英文

中图法分类号:

O6-39

中图法分类号:

O561.1

提要文摘附注:

This book covers two parts: Computer Chemistry and Molecular Design. It presented several approaches employed in molecular design step by step. Molecular graph and presentation as the start point, it introduced several methods of Computer Chemistry concerned with molecular design: property recognition of chemical structure, artificial neural network and data analysis. Computer-aided molecular design has the relationship with drug discovery, pesticide design, food chemistry, environment chemistry and so on. This book can be a reference for the people who is engaged or interested in computer-aided molecular design.

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