%0 Journal Article
%T INTERNAL TEST SET (ITS) METHOD: A NEW CROSS-VALIDATION TECHNIQUE TO ASSESS THE PREDICTIVE CAPABILITY OF QSAR MODELS. APPLICATION TO A BENCHMARK SET OF STEROIDS
%A EMILI BESAL¨²
%A LEONEL VERA
%J Journal of the Chilean Chemical Society
%D 2008
%I Sociedad Chilena de Qu¨ªmica
%X A new internal cross-validation method is presented for assessing the true predictive capability of QSAR models. The test is general and can be applied in many QSAR/QSPR approaches. In this work, the method is tested on a well-known benchmark set of steroids. In order to make the calculations, Topological Quantum Similarity ¨ªndices and M¨²ltiple Linear Regression models were considered
%K benchmark steroids
%K cross-validation
%K predictions
%K internal test set method
%K statistical validation
%K topological quantum similarity indexes
%U http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072008000300005