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:

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