R package citation, R package reverse dependencies, R package scholars, install an r package from GitHub hy is package acceptance pending why is package undeliverable amazon why is package on hold dhl tour packages why in r package r and r package full form why is r free why r is bad which r package to install which r package has which r package which r package version which r package readxl which r package ggplot which r package fread which r package license where is package.json where is package-lock.json where is package.swift where is package explorer in eclipse where is package where is package manager unity where is package installer android where is package manager console in visual studio who r package which r package to install which r package version who is package who is package deal who is package design r and r package full form r and r package meaning what r package has what package r what is package in java what is package what is package-lock.json what is package in python what is package.json what is package installer do r package can't install r packages r can't find package r can't load package can't load xlsx package r can't install psych package r can't install sf package r Write if else in NONMEM pk pd
gaQSAR
View on CRAN: Click
here
Download and install gaQSAR package within the R console
Install from CRAN:
install.packages("gaQSAR")
Install from Github:
library("remotes")
install_github("cran/gaQSAR") Install by package version:
library("remotes")
install_version("gaQSAR", "1.2.3") Attach the package and use:
library("gaQSAR")
Maintained by
Jos Hageman
[Scholar Profile | Author Map]
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2026-06-24
Latest Update: 2026-06-24
Description:
Implements genetic algorithm-based variable selection for building quantitative structure-activity relationship (QSAR) models. The package provides a workflow for selecting optimal predictor subsets from large descriptor spaces using leave-one-out cross-validation (LOOCV) with Q2 as the fitness criterion. Features include automatic handling of multicollinearity via variance inflation factor (VIF) thresholding, customizable genetic algorithm operators, and diagnostic tools for model evaluation. Supports both training set optimization and external validation, plus nested (double) cross-validation for unbiased performance estimation and predictor stability diagnostics. Built-in visualization functions include Q2 curves and Williams plots to assess model applicability domain. The method is demonstrated in papers predicting antibacterial activity by Araya-Cloutier et al. (2018) <doi:10.1038/s41598-018-27545-4> and Kalli et al. (2021) <doi:10.1038/s41598-021-92964-9>.
How to cite:
Jos Hageman (2026). gaQSAR: QSAR Modelling Using Genetic Algorithm Based Variable Selection. R package version 1.2.3, https://cran.r-project.org/web/packages/gaQSAR. Accessed 08 Oct. 2026.
Previous versions and publish date:
No previous versions
Other packages that cited gaQSAR R package
View gaQSAR citation profile
Other R packages that gaQSAR depends,
imports, suggests or enhances
Complete documentation for gaQSAR
Functions, R codes and Examples using
the gaQSAR R package
Full gaQSAR package
functions and examples
Downloads during the last 30 days
Today's Hot Picks in Authors and Packages
shinymodels
Launch a 'shiny' application for 'tidymodels' results. For
classification or regression models, the ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Simon Couch (view profile)
nextGenShinyApps
Nove responsive tools for designing and developing 'Shiny' dashboards and applications. The scripts ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Obinna Obianom (view profile)
kriens
Provides basic functions for Continuation-Passing Style development. ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Matteo Provenzano (view profile)
eDMA
Perform dynamic model averaging with grid search as in Dangl and Halling (2012) ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Leopoldo Catania (view profile)
imguR
A complete API client for the image hosting service Imgur.com, including the an imgur graphics devic ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Thomas J. Leeper (view profile)
28,989
R Packages
247,686
Dependencies
76,495
Author Associations
28,990
Publication Badges
