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Internal test sets studies in a group of antimalarials
Julián Ortiz, Jesús Vicente de; Besalú i Llorà, Emili
Topological indices have been applied to build QSAR models for a set of 20 antimalarial cyclic peroxy cetals. In order to evaluate the reliability of the proposed linear models leave-n-out and Internal Test Sets (ITS) approaches have been considered. The proposed procedure resulted in a robust and consensued prediction equation and here it is shown why it is superior to the employed standard cross-validation algorithms involving multilinear regression models
Models lineals (Estadística)
Linear models (Statistics)
QSAR (Bioquímica)
Tots els drets reservats
Article
Molecular Diversity Preservation International (MDPI)
         

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