Welcome to qsarkit’s documentation!

qsarKit aims to provide tools for developing, analyzing, and visualizing quantitative structure-activity relationship (QSAR) models using regression and ensemble learning techniques. The package also includes tools for data preprocessing, feature selection, visualization, model evaluation, and data augmentation using generative adversarial networks (GANs).

User Guide

• Installation
• Quickstart Guide for qsarKit

Package Reference

• Preprocessing
  • Feature Selector
  • Custom Preprocessing
• Gan
  • Gan Featurizer
  • QSAR Gan
  • Extract Descriptors
• Models
  • Base Model
  • CatBoost Model
  • ElasticNet Model
  • Lasso Model
  • RandomForest Model
  • Ridge Model
  • XGBoost Model
• Utils
  • Extractor
  • Cross Validator
  • Hyper Parameter Optimizer
• Visualizer
  • Visualizer

Developer Guide

• Open source code repository
• qsarKit Documentation

Indices and tables

• Index

• Module Index

• Search Page