QSAR

Quantitative Structure-Activity Relationship models

Models

QSAR Toolbox ExplorePageModel Integration

This machine learning model serves as an interface for the QSAR Toolbox API, allowing users to input SMILES strings and select a QSPR model to generate predictive values for various properties.

QSAR Toolbox Profiler integration

This machine learning model serves as an interface for the QSAR Toolbox API, allowing users to input SMILES strings and select a QSPR model to generate predictive values for various properties.

QSAR Toolbox Calculator Integration

This machine learning model serves as an interface for the QSAR Toolbox API, allowing users to input SMILES strings and select a QSPR model to generate predictive values for various properties.

MWCNTs genotoxicity

Random Forest model for the genotoxicity classificaton of Multi-walled Carbon nanotubes