On Two Novel Parameters for Validation of Predictive QSAR Models

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 Q2 for internal validation and predictive R2 for external validation) may be supplemented with two novel parameters rm2...

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Bibliographic Details
Main Authors: Partha Pratim Roy, Somnath Paul, Indrani Mitra, Kunal Roy
Format: Article
Language:English
Published: MDPI AG 2009-04-01
Series:Molecules
Subjects:
QSAR
Validation
Internal validation
External validation
Randomization
Online Access:http://www.mdpi.com/1420-3049/14/5/1660/

Internet

http://www.mdpi.com/1420-3049/14/5/1660/

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