Online rule generator — Do it yourself

None of the precomputed reaction rules meet your needs? The custom rule generator allows one to build custom reaction rule using as input a reaction provided as a reaction SMILES or RXN MDL file.

See documentation for details on setting used by the custom rule generator.

► From reaction SMILES

► From RXN MDL file

► Batch generation

For batch generation of whole datasets of reaction rules, please contact us.