Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1180222 | Chemometrics and Intelligent Laboratory Systems | 2006 | 7 Pages |
Abstract
The activities/properties of two molecules with identical formula but different configuration states of the asymmetric atoms are different. Thus, usually the common topological indices are not suitable. In this study, the chiral topological indices were obtained by extending Ami indices suggested by our laboratory and molecular connectivity indices. The modified topological indices have been used for the studies on D2 for dopamine receptor and α receptor activities of fourteen N-alkylated 3-(3-hydroxyphenyl)-piperidines. It has been observed that selected variables possess low correlations. The results obtained by using multiple regression analysis and artificial neural networks are satisfactory.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Lu Xu, Qing-You Zhang, Jun Wang, Lin Dong,