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

Manual: DEMOVA.pdf
Vignette: None available.

Maintainer: Vinca Prana <vinca.prana at free.fr>

Author(s): Vinca Prana

Install package and any missing dependencies by running this line in your R console:

install.packages("DEMOVA")

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Package DEMOVA
Materials
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Version 1.0
Published 2016-03-15
License GPL (>= 2)
BugReports
SystemRequirements
NeedsCompilation no
Citation
CRAN checks DEMOVA check results
Package source DEMOVA_1.0.tar.gz