Welcome to QSPRpred’s documentation!
QSPRpred is open-source software libary for building Quantitative Structure Property Relationship (QSPR) models developed by Gerard van Westen’s Computational Drug Discovery group. It provides a unified interface for building QSPR models based on different types of descriptors and machine learning algorithms. Here you will find the installation guide (Installation), an overview of available features (Overview of available features), usage examples (Command Line Interface Usage) and API documentation (Python API). For tutorials and examples of the Python API, please visit the QSPRpred GitHub repository.