Enter a SMILES, Name, or CAS#, or draw a chemical, then click the button located in the top right of the chosen method to get results. Click the "next" button below or click the "Reaction Pathway Simulator" link above to continue through the workflow.
Check one or more calculation methods to run, then hit submit below
Check chemical properties and which calculators to compute them, then hit submit
Choose Reaction System Descriptions or OCSPP Test Guidelines to help guide the selection of the appropriate reaction libraries, or choose User Selection to manually select the reaction libraries to use for generating transformation products. Then set the Reaction Options and click submit.
Enter Metadata to be saved with model run here:
