Comprehensive Prediction of Small Molecule Toxicity Profiles
Please provide a set of molecules (SDF or SMILES)
SMILES file (limited to 1,000 molecules):
Choose SMILES file
Supplier Data Files (SDFs) [Click to Download Sample]
SMILES files [Click to Download Sample]
must have a header with the SMILES column.
are preferable in the canonical form.
Draw your own molecule and get its SMILES
Draw your own molecule using JSME Molecular Editor
Get SMILES and Fill it in
Fill your e-mail address (
E-mail address (for sending a notice with the result link):
Please choose the prediction mode
Use toxCSM to evaluate your molecules considering one of the following toxicity categories: