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Prediction of Anticancer Activity of 2-phenylindoles: Comparative Molecular Field Analysis Versus Ridge Regression
Acta Chimica Slovenica
|September 25, 2013
Abstract:
Topological indices (TIs) and atom pairs (APs) were used to develop quantitative structure-activity relationships (QSARs) for anticancer activity for a set of 43 derivatives of 2-phenylindole. Results show that QSARs formulated using TI+AP outperform those using either TI or AP alone. The q2 of the ridge regression model using TI+AP was 0.867 as compared to 0.705 reported in the literature using the comparative molecular field analysis (CoMFA) method.
