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DEMOVA  

DEvelopment (of Multi-Linear QSPR/QSAR) MOdels VAlidated using Test Set
View on CRAN: Click here


Download and install DEMOVA package within the R console
Install from CRAN:
install.packages("DEMOVA")

Install from Github:
library("remotes")
install_github("cran/DEMOVA")

Install by package version:
library("remotes")
install_version("DEMOVA", "1.0")



Attach the package and use:
library("DEMOVA")
Maintained by
Vinca Prana
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2016-03-15
Latest Update: 2016-03-15
Description:
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.
How to cite:
Vinca Prana (2016). DEMOVA: DEvelopment (of Multi-Linear QSPR/QSAR) MOdels VAlidated using Test Set. R package version 1.0, https://cran.r-project.org/web/packages/DEMOVA. Accessed 21 Nov. 2024.
Previous versions and publish date:
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Other packages that cited DEMOVA R package
View DEMOVA citation profile
Other R packages that DEMOVA depends, imports, suggests or enhances
Complete documentation for DEMOVA
Functions, R codes and Examples using the DEMOVA R package
Some associated functions: DEMOVA-package . LMO . LOO . fitting . graphe_3Sets . prediction . preselection . scramb . select_MLR . select_variables . 
Some associated R codes: DEMOVA.R .  Full DEMOVA package functions and examples
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