Please use this identifier to cite or link to this item:
http://nopr.niscpr.res.in/handle/123456789/20670| Title: | Use of topological indices in predicting aryl hydrocarbon receptor binding potency of dibenzofurans: A hierarchical QSAR approach |
| Authors: | Basak, Subhash C Mills, Denise Mumtaz, Moiz M Balasubramanian, Krishnan |
| Issue Date: | Jun-2003 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Topostructural (TS) and topochemical (TC) indices, geometrical descriptors, and ab initio (STO-3G) quantum chemical indices have been employed either alone or hierarchically in the development of quantitative structure-activity relationship (QSAR) models of the aryl hydrocarbon (Ah) receptor binding potency of a set of 34 dibenzofurans. Results show that, for the full set, the TS and TC indices explain most of the variance in the data. The addition of 3-D and quantum chemical indices makes only slight improvement in the predictive capability of QSAR models. |
| Page(s): | 1385-1391 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.42A(06) [June 2003] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 42A(6) 1385-1391.pdf | 1.62 MB | Adobe PDF | View/Open |
Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.