The necessity to externally validate QSAR models is highlighted with example of models stable by cross-validation but not predictive for new chemicals

External Evaluation of QSAR Models, in Addition to Cross-Validation: Verification of Predictive Capability on Totally New Chemicals

GRAMATICA, PAOLA
2014-01-01

Abstract

The necessity to externally validate QSAR models is highlighted with example of models stable by cross-validation but not predictive for new chemicals
2014
http://www3.interscience.wiley.com/journal/117935710/issueyeargroup
Organic Chemistry; Computer Science Applications1707 Computer Vision and Pattern Recognition; Drug Discovery3003 Pharmaceutical Science; Molecular Medicine; Structural Biology
Gramatica, Paola
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11383/1913120
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