Modelling of carbonic anhydrase inhibitory activity of sulfonamides using molecular negentropy.
The present paper deals with the modelling of carbonic anhydrase inhibitory activity of sulfonamides using molecular negentropy (N). Excellent results are obtained in multiple regression analysis upon introduction of indicator parameters. The results are critically discussed on the basis of statistical data obtained from regression analysis.
Agrawal
Vijay K
VK
QSAR and Computer Chemical Laboratories, A.P.S. University, Rewa 486 003, India. vijay-agrawal@lycos.com
Khadikar
Padmakar V
PV
D000465:Algorithms; D002257:Carbonic Anhydrase Inhibitors / Q000138:chemical synthesis* / Q000494:pharmacology*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D018360:Crystallography, X-Ray; D007700:Kinetics; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D013449:Sulfonamides / Q000138:chemical synthesis* / Q000494:pharmacology*; D013816:Thermodynamics
D002257:Carbonic Anhydrase Inhibitors; D013449:Sulfonamides