• About
  • Documentation

  • More Universes
  • Recent Updates
  • Leader board

  • All repositories
  • All packages
  • All articles
  • All datasets
  • All system Libraries
ocheab
  • Builds
  • Packages
  • Articles
  • Datasets
  • Contribution
  • Badges
  • API
  • Feed

Links toocheab

rQSAR - QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random Forest

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.

Last updated

openjdk

2.00 score 214 downloads

FormulR - Comprehensive Tools for Drug Formulation Analysis and Visualization

This presents a comprehensive set of tools for the analysis and visualization of drug formulation data. It includes functions for statistical analysis, regression modeling, hypothesis testing, and comparative analysis to assess the impact of formulation parameters on drug release and other critical attributes. Additionally, the package offers a variety of data visualization functions, such as scatterplots, histograms, and boxplots, to facilitate the interpretation of formulation data. With its focus on usability and efficiency, this package aims to streamline the drug formulation process and aid researchers in making informed decisions during formulation design and optimization.

Last updated

2.00 score 169 downloads