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.