DUGiDocsInternal Test Sets (ITS) Method: a new cross-validation technique to assess the predictive capability of QSAR models. Application to a benchmark set of steroids
dc.contributor.author
dc.date.accessioned
2014-09-25T07:17:27Z
dc.date.available
2014-09-25T07:17:27Z
dc.date.issued
2008
dc.identifier.issn
0717-9707
dc.identifier.uri
dc.description.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
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Sociedad Chilena de Química
dc.relation.isformatof
Reproducció digital del document publicat a: http://www.scielo.cl/pdf/jcchems/v53n3/art05.pdf
dc.relation.ispartof
Journal of the Chilean Chemical Society, 2008, vol. 53, núm. 3, p. 1576-1580
dc.relation.ispartofseries
Articles publicats (D-Q)
dc.rights
Attribution-NonCommercial 3.0 Spain
dc.rights.uri
dc.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
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.embargo.terms
Cap
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.idgrec
014475