Table 1 Average number and percentage of actives in all datasets used for the benchmark
From: One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
| MUVa | DUDa | ChEMBLa | Mutated peptidesb | Scrambled peptidesb | |
|---|---|---|---|---|---|
| Average n.o. actives | 30.0 ± 0.0 | 91.3 ± 80.5 | 100.0 ± 0.0 | 500.2 ± 0.7 | 56.0 ± 27.4 |
| Average % actives | 0.2 ± 0.0% | 2.2 ± 0.4% | 1.0 ± 0.0% | 5.3 ± 0.0% | 0.6 ± 0.2% |