Package: DEMOVA 1.0

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.

Authors:Vinca Prana

DEMOVA_1.0.tar.gz
DEMOVA_1.0.zip(r-4.5)DEMOVA_1.0.zip(r-4.4)DEMOVA_1.0.zip(r-4.3)
DEMOVA_1.0.tgz(r-4.4-any)DEMOVA_1.0.tgz(r-4.3-any)
DEMOVA_1.0.tar.gz(r-4.5-noble)DEMOVA_1.0.tar.gz(r-4.4-noble)
DEMOVA_1.0.tgz(r-4.4-emscripten)DEMOVA_1.0.tgz(r-4.3-emscripten)
DEMOVA.pdf |DEMOVA.html✨
DEMOVA/json (API)

Peer review:

On CRAN:

This package does not link to any Github/Gitlab/R-forge repository. No issue tracker or development information is available.

9 exports 0.71 score 1 dependencies 2 mentions 10 scripts 143 downloads

Last updated 9 years agofrom:a9b54a2e3b. Checks:OK: 1 NOTE: 6. Indexed: yes.

Exports:fittinggraphe_3SetsLMOLOOpredictionpreselectionscrambselect_MLRselect_variables

Dependencies:leaps