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Título:
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Internal test sets studies in a group of antimalarials
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Autor/a:
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Julián Ortiz, Jesús Vicente de; Besalú i Llorà, Emili
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Abstract:
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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 |
Materia(s):
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-Models lineals (Estadística) -Linear models (Statistics) -QSAR (Bioquímica) |
Derechos:
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Tots els drets reservats. Reproduction is permitted for noncommercial purposes
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Tipo de documento:
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Artículo |
Editor:
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MDPI (Multidisciplinary Digital Publishing Institute)
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