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
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