Internal Test Sets Studies in a Group of Antimalarials
| العنوان: | Internal Test Sets Studies in a Group of Antimalarials |
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| المؤلفون: | J.V. de Julián-Ortiz, Emili Besalú |
| المصدر: | International Journal of Molecular Sciences, Vol 7, Iss 10, Pp 456-468 (2006) International Journal of Molecular Sciences; Volume 7; Issue 10; Pages: 456-468 Recercat. Dipósit de la Recerca de Catalunya instname © International Journal of Molecular Sciences, vol. 7, núm. 10, p. 456-468 Articles publicats (D-Q) DUGiDocs – Universitat de Girona |
| بيانات النشر: | MDPI AG, 2006. |
| سنة النشر: | 2006 |
| مصطلحات موضوعية: | Internal test sets method, topological indices, linear models, QSAR, statistical validation, Quantitative structure–activity relationship, Multilinear map, Linear models (Statistics), Catalysis, Inorganic Chemistry, Set (abstract data type), lcsh:Chemistry, QSAR (Bioquímica), Order (group theory), Applied mathematics, Physical and Theoretical Chemistry, Molecular Biology, lcsh:QH301-705.5, Spectroscopy, Reliability (statistics), Mathematics, Group (mathematics), Organic Chemistry, Linear model, Regression analysis, General Medicine, Computer Science Applications, lcsh:Biology (General), lcsh:QD1-999, Models lineals (Estadística) |
| الوصف: | Topological indices have been applied to build QSAR models for a set of 20 an- timalarial cyclic peroxy cetals. In order to evalua te the reliability of the proposed linear models leave-n-out and Internal Test Sets (ITS) approaches have b een considered. The pro- posed procedure resulted in a robust and consensued prediction equation and here it is shown why it is superior to the employed standard c ross-validation algorithms involving multilinear regression models. |
| وصف الملف: | application/pdf |
| اللغة: | English |
| تدمد: | 1422-0067 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c11377b8bdafd81d49ae2ced440d7b43 http://www.mdpi.com/1422-0067/7/10/456/ |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi.dedup.....c11377b8bdafd81d49ae2ced440d7b43 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 14220067 |
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