Internal Test Sets (ITS) Method: a new cross-validation technique to assess the predictive capability of QSAR models. Application to a benchmark set of steroids

All of RECERCAT

To access the full text documents, please follow this link: http://hdl.handle.net/10256/9436

Title:	Internal Test Sets (ITS) Method: a new cross-validation technique to assess the predictive capability of QSAR models. Application to a benchmark set of steroids
Author:	Besalú i Llorà, Emili; Vera, Leonel
Abstract:	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 Indices and Multiple Linear Regression models were considered
Subject(s):	-Química quàntica -Quantum chemistry -QSAR (Bioquímica) -QSAR (Biochemistry)
Rights:	Attribution-NonCommercial 3.0 Spain http://creativecommons.org/licenses/by-nc/3.0/es/
Document type:	Article Article - Published version
Published by:	Sociedad Chilena de Química
Share: