Quantitative Structure-Activity Relationship and Research Methods

Author: Wang Peng
Publisher:
Publish Date: 2004-09-01
Features: This book systematically elaborates on the quantitative structure-activity relationship (QSAR) of organic compounds and research methods. The book consists of five chapters, introducing the concept model of QSAR and the current status of applied research in environmental science; mathematical representation methods of molecular structure in QSAR research, with a focus on molecular topological indices, such as molecular connectivity indices and self-correlation topological indices, as well as their research methods; mathematical modeling methods in QSAR research, with a focus on regression analysis and artificial neural network methods, among others.