DEMOVA: 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.

Version: 1.0
Depends: leaps
Suggests: testthat
Published: 2016-03-15
DOI: 10.32614/CRAN.package.DEMOVA
Author: Vinca Prana
Maintainer: Vinca Prana <vinca.prana at>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
NeedsCompilation: no
CRAN checks: DEMOVA results


Reference manual: DEMOVA.pdf


Package source: DEMOVA_1.0.tar.gz
Windows binaries: r-devel:, r-release:, r-oldrel:
macOS binaries: r-release (arm64): DEMOVA_1.0.tgz, r-oldrel (arm64): DEMOVA_1.0.tgz, r-release (x86_64): DEMOVA_1.0.tgz, r-oldrel (x86_64): DEMOVA_1.0.tgz


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