DEMOVA: DEvelopment (of Multi-Linear QSPR/QSAR) MOdels VAlidated usingTest Set
Tool for the development of multi-linear QSPR/QSAR models (Quantitative structure-property/activity relationship). Theses models are used in chemistry, biology and pharmacy to find a relationship between the structure of a molecule and its property (such as activity, toxicology but also physical properties). The various functions of this package allows: selection of descriptors based of variances, intercorrelation and user expertise; selection of the best multi-linear regression in terms of correlation and robustness; methods of internal validation (Leave-One-Out, Leave-Many-Out, Y-scrambling) and external using test sets.
Documentation:
Downloads:
Linking:
Please use the canonical formhttps://CRAN.R-project.org/package=DEMOVAto link to this page.