Compare Molecules
compare_moleculesCompare two molecule representations using ChemScript identity and RDKit Tanimoto fingerprints to find if they match or measure similarity.
Instructions
Compare two molecule representations using ChemScript identity and RDKit Tanimoto fingerprints.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| n_bits | No | ||
| radius | No | ||
| molecule_a | Yes | ||
| molecule_b | Yes | ||
| fingerprint | No | morgan |