DEvelopment (of Multi-Linear QSPR/QSAR) MOdels VAlidated using Test 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.


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install.packages("DEMOVA")

1.0 by Vinca Prana, 3 years ago


Browse source code at https://github.com/cran/DEMOVA


Authors: Vinca Prana


Documentation:   PDF Manual  


GPL (>= 2) license


Depends on leaps

Suggests testthat


See at CRAN