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

dc.creatorBESALÚ,EMILI
dc.creatorVERA,LEONEL
dc.date2008-09-01
dc.date.accessioned2017-03-07T16:02:43Z
dc.date.available2017-03-07T16:02:43Z
dc.identifierhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072008000300005
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/395129
dc.descriptionA 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 índices and Múltiple Linear Regression models were considered
dc.formattext/html
dc.languageen
dc.publisherSociedad Chilena de Química
dc.sourceJournal of the Chilean Chemical Society v.53 n.3 2008
dc.subjectbenchmark steroids
dc.subjectcross-validation
dc.subjectpredictions
dc.subjectinternal test set method
dc.subjectstatistical validation
dc.subjecttopological quantum similarity indexes
dc.titleINTERNAL TEST SET (ITS) METHOD: A NEW CROSS-VALIDATION TECHNIQUE TO ASSESS THE PREDICTIVE CAPABILITY OF QSAR MODELS. APPLICATION TO A BENCHMARK SET OF STEROIDS
dc.typeArtículos de revistas


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