External Evaluation of QSAR Models, in Addition to Cross-Validation: Verification of Predictive Capability on Totally New Chemicals
Articolo
Data di Pubblicazione:
2014
Abstract:
The necessity to externally validate QSAR models is highlighted with example of models stable by cross-validation but not predictive for new chemicals
Tipologia CRIS:
Articolo su Rivista
Keywords:
Organic Chemistry; Computer Science Applications1707 Computer Vision and Pattern Recognition; Drug Discovery3003 Pharmaceutical Science; Molecular Medicine; Structural Biology
Elenco autori:
Gramatica, Paola
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