[书籍] 计算机化学与分子设计
出版社:
高等教育出版社
简介:
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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