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Julián Ortiz, Jesús Vicente de
Besalú i Llorà , Emili |
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| 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 | |
| http://hdl.handle.net/2072/295746 | |
| eng | |
| MDPI (Multidisciplinary Digital Publishing Institute) | |
| Tots els drets reservats. Reproduction is permitted for noncommercial purposes | |
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Models lineals (EstadÃstica)
Linear models (Statistics) QSAR (BioquÃmica) |
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| Internal test sets studies in a group of antimalarials | |
| info:eu-repo/semantics/article | |
| Recercat |
