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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 free.fr>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
NeedsCompilation: no
CRAN checks: DEMOVA results

Documentation:

Reference manual: DEMOVA.pdf

Downloads:

Package source: DEMOVA_1.0.tar.gz
Windows binaries: r-devel: DEMOVA_1.0.zip, r-release: DEMOVA_1.0.zip, r-oldrel: DEMOVA_1.0.zip
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

Linking:

Please use the canonical form https://CRAN.R-project.org/package=DEMOVA to link to this page.

These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.
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