toxCSM | Prediction Submission

toxCSM Comprehensive Prediction of Small Molecule Toxicity Profiles

Step 1: Please provide a set of molecules (SDF or SMILES)

SDF OR SMILES file (limited to 1,000 molecules):

Supplier Data Files (SDFs) [Click to Download Sample] must follow common standards.

SMILES files [Click to Download Sample] must have a header with the SMILES column.
SMILES are preferable in the canonical form.

OR

SMILES string:

Draw your own molecule and get its SMILES

Step 2: Fill your e-mail address (optional)

E-mail address (for sending a notice with the result link):

Step 3: Please choose the prediction mode

Use toxCSM to evaluate your molecules considering one of the following toxicity categories: