QSAR Predictor

Select one or more previously built QSAR models to predict the activity of up to 100 chemicals. After prediction, a modified CSV or SDF will download automatically. Predictions are written to ModelName_Prediction column(s). For classification, this is the class label (1 = active/toxic, 0 = inactive/non-toxic). For regression, it’s the predicted continuous value. Empty or invalid SMILES are removed before prediction.

No QSAR models available. Please use Cheminformatics → QSAR Builder to create QSAR model(s).

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