From: One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
Database | Sizea | HACb |
---|---|---|
ChEMBLc | 1,870,343 | 30.0 ± 17.5 |
Non-Lipinski ChEMBL | 203,850 | 55.7 ± 38.7 |
Human metabolome | 114,016 | 61.7 ± 28.1 |
SwissProt | 9054 | 237.4 ± 104.7 |
DrugBank | 229,067 | 26.2 ± 20.7 |