Other packages > Find by keyword >

rQSAR  

QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random Forest
View on CRAN: Click here


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

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

Install by package version:
library("remotes")
install_version("rQSAR", "1.0.0")



Attach the package and use:
library("rQSAR")
Maintained by
Oche Ambrose George
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2024-04-02
Latest Update: 2024-04-02
Description:
Quantitative Structure-Activity Relationship (QSAR) modeling is a valuable tool in computational chemistry and drug design, where it aims to predict the activity or property of chemical compounds based on their molecular structure. In this vignette, we present the 'rQSAR' package, which provides functions for variable selection and QSAR modeling using Multiple Linear Regression (MLR), Partial Least Squares (PLS), and Random Forest algorithms.
How to cite:
Oche Ambrose George (2024). rQSAR: QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random Forest. R package version 1.0.0, https://cran.r-project.org/web/packages/rQSAR. Accessed 06 Mar. 2026.
Previous versions and publish date:
No previous versions
Other packages that cited rQSAR R package
View rQSAR citation profile
Other R packages that rQSAR depends, imports, suggests or enhances
Complete documentation for rQSAR
Functions, R codes and Examples using the rQSAR R package
Full rQSAR package functions and examples
Downloads during the last 30 days

Today's Hot Picks in Authors and Packages

EMVS  
The Expectation-Maximization Approach to Bayesian Variable Selection
An efficient expectation-maximization algorithm for fitting Bayesian spike-and-slab regularization p ...
Download / Learn more Package Citations See dependency  
solitude  
An Implementation of Isolation Forest
Isolation forest is anomaly detection method introduced by the paper Isolation based Anomaly Detecti ...
Download / Learn more Package Citations See dependency  
lbfgs  
Limited-memory BFGS Optimization
A wrapper built around the libLBFGS optimization library by Naoaki Okazaki. The lbfgs package implem ...
Download / Learn more Package Citations See dependency  
mlr3viz  
Visualizations for 'mlr3'
Visualization package of the 'mlr3' ecosystem. It features plots for mlr3 objects such as tasks, le ...
Download / Learn more Package Citations See dependency  
r2resize  
In-Text Resize for Images, Tables and Fancy Resize Containers in 'shiny', 'rmarkdown' and 'quarto' Documents
Automatic resizing toolbar for containers, images and tables. Various resizable or expandable contai ...
Download / Learn more Package Citations See dependency  
openxlsx  
Read, Write and Edit xlsx Files
Simplifies the creation of Excel .xlsx files by providing a high level interface to writing, stylin ...
Download / Learn more Package Citations See dependency  

26,264

R Packages

223,360

Dependencies

70,244

Author Associations

26,265

Publication Badges

© Copyright since 2022. All right reserved, rpkg.net.  Based in Cambridge, Massachusetts, USA