Abstract
A QSAR study of two sets of carbonic anhydrase inhibitors is presented using a variety of molecular descriptors including topological indices. The first set consists of 29 benzenesulphonamides, and the second set includes 35 sulphanilamide Schiff bases. Two regression methodologies have been used involving ridge regression and the CODESSA program, and their results are compared with those of previous QSAR studies. Good correlations were found for the former set, and less satisfactory results for the latter set when the number of molecular descriptors is kept below five.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 401-412 |
| Number of pages | 12 |
| Journal | Molecular Diversity |
| Volume | 8 |
| Issue number | 4 |
| DOIs | |
| State | Published - 2004 |
Bibliographical note
Funding Information:The work performed at the Natural Resources Research Institute is supported by Grant F49620-02-1-0138 from the U.S. Air Force. This is contribution number 365 from the NRRI Center for Water and the Environment.
Copyright:
Copyright 2012 Elsevier B.V., All rights reserved.
Keywords
- Molecular descriptors
- QSAR
- Schiff bases
- Sulphonamides
- carbonic anhydrase inhibitors
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