From: Effectiveness of molecular fingerprints for exploring the chemical space of natural products
Fingerprint | Minimum | 25th percentile | 50th percentile | 75th percentile | Maximum |
---|---|---|---|---|---|
MAP4 | 0.000 | 0.002 | 0.011 | 0.026 | 0.067 |
LSTAR | 0.026 | 0.039 | 0.048 | 0.059 | 0.080 |
MHFP | 0.000 | 0.028 | 0.052 | 0.082 | 0.141 |
TT | 0.000 | 0.023 | 0.055 | 0.103 | 0.212 |
ASP | 0.020 | 0.043 | 0.064 | 0.090 | 0.140 |
DFS | 0.026 | 0.054 | 0.077 | 0.107 | 0.169 |
ECFP | 0.046 | 0.082 | 0.108 | 0.137 | 0.190 |
LINGO | 0.018 | 0.065 | 0.114 | 0.173 | 0.279 |
RAD2D | 0.047 | 0.087 | 0.118 | 0.154 | 0.226 |
FCFP | 0.053 | 0.099 | 0.139 | 0.186 | 0.275 |
Daylight | 0.059 | 0.111 | 0.171 | 0.249 | 0.404 |
AP | 0.042 | 0.113 | 0.184 | 0.267 | 0.399 |
KR | 0.047 | 0.125 | 0.210 | 0.317 | 0.504 |
RDKIT | 0.062 | 0.166 | 0.261 | 0.371 | 0.550 |
Avalon | 0.084 | 0.211 | 0.326 | 0.467 | 0.648 |
PubChem | 0.167 | 0.294 | 0.396 | 0.516 | 0.706 |
MACCS | 0.168 | 0.313 | 0.410 | 0.511 | 0.667 |
ESTATE | 0.186 | 0.364 | 0.500 | 0.615 | 0.799 |
PH3 | 0.036 | 0.322 | 0.638 | 0.830 | 0.952 |
PH2 | 0.228 | 0.500 | 0.875 | 1.000 | 1.000 |