On Two Novel Parameters for Validation of Predictive QSAR Models
نویسندگان
چکیده
منابع مشابه
On two novel parameters for validation of predictive QSAR models.
Validation is a crucial aspect of quantitative structure-activity relationship (QSAR) modeling. The present paper shows that traditionally used validation parameters (leave-one-out Q(2) for internal validation and predictive R(2) for external validation) may be supplemented with two novel parameters r(m)(2) and R(p)(2) for a stricter test of validation. The parameter r(m)(2)((overall)) penalize...
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ژورنال
عنوان ژورنال: Molecules
سال: 2009
ISSN: 1420-3049
DOI: 10.3390/molecules14051660