CRAN/E | DEMOVA

DEMOVA

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

Installation

About

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.

Key Metrics

Version 1.0
Published 2016-03-15 2958 days ago
Needs compilation? no
License GPL-2
License GPL-3
CRAN checks DEMOVA results

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Maintainer

Maintainer

Vinca Prana

vinca.prana@free.fr

Authors

Vinca Prana

Material

Reference manual
Package source

macOS

r-release

arm64

r-oldrel

arm64

r-release

x86_64

r-oldrel

x86_64

Windows

r-devel

x86_64

r-release

x86_64

r-oldrel

x86_64

Depends

leaps

Suggests

testthat