Structural Similarity Between NPASS Natural Products and NPD60
Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
| Range |
Similarity Score Range |
| 0-0.1 | 199368 |
| 0.1-0.2 | 12345 |
| 0.2-0.3 | 24 |
| 0.3-0.4 | 0 |
| 0.4-0.5 | 0 |
| 0.5-0.6 | 0 |
| 0.6-0.7 | 2 |
| 0.7-0.8 | 0 |
| 0.8-0.85 | 0 |
| 0.85-0.9 | 0 |
| 0.9-0.95 | 0 |
| 0.95-1 | 0 |
