QSAR Builder

Quantitative Structure–Activity Relationship (QSAR) models are statistical models that relate chemical structures to observed biological activities. A model is defined as a pair of features (e.g., ECFP6 fingerprints) and a machine learning algorithm (e.g., Random Forest). A QSAR model can be built by selecting a dataset, feature set, and machine learning algorithm, then pressing the "Build QSAR" button. Depending on various factors, model training may take some time.