화학공학소재연구정보센터
International Journal of Molecular Sciences, Vol.7, No.7, 220-229, 2006
Self-organizing molecular field analysis on a new series of COX-2 selective inhibitors: 1,5-diarylimidazoles
Self-organizing molecular field analysis (SOMFA), a simple three-dimensional quantitative structure - activity relationship (3D-QSAR) method is used to study the correlation between the molecular properties and the anti-inflammatory biological activities of a new series of 1,5-Diarylimidazoles that act as selective COX-2 inhibitors. The statistical results, cross-validated rCV(2) (0.507) and non cross-validated r(2) (0.546), show a satisfied predictive ability.