From: jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints
Encoding | ACE | ACHE | BZR | COX2 | DHFR | GPB | THERM | THR |
---|---|---|---|---|---|---|---|---|
DFS | 0.79 | 0.78 | 0.71 | 0.68 | 0.86 | 0.69 | 0.70 | 0.68 |
ASP | 0.79 | 0.80 | 0.75 | 0.69 | 0.87 | 0.71 | 0.70 | 0.69 |
AP2D | 0.83 | 0.70 | 0.67 | 0.71 | 0.82 | 0.71 | 0.70 | 0.75 |
AT2D | 0.82 | 0.74 | 0.67 | 0.74 | 0.83 | 0.70 | 0.73 | 0.75 |
CATS2D | 0.81 | 0.68 | 0.49 | 0.60 | 0.84 | 0.72 | 0.68 | 0.75 |
PHAP2PT2D | 0.80 | 0.64 | 0.48 | 0.59 | 0.83 | 0.72 | 0.70 | 0.74 |
PHAP3PT2D | 0.80 | 0.64 | 0.56 | 0.65 | 0.84 | 0.73 | 0.71 | 0.71 |
SHED | 0.78 | 0.61 | 0.34 | 0.46 | 0.61 | 0.66 | 0.57 | 0.76 |
ECFP | 0.78 | 0.76 | 0.68 | 0.73 | 0.86 | 0.70 | 0.68 | 0.74 |
RAD2D | 0.78 | 0.73 | 0.59 | 0.70 | 0.82 | 0.68 | 0.68 | 0.76 |
LSTAR | 0.75 | 0.77 | 0.68 | 0.72 | 0.86 | 0.66 | 0.66 | 0.74 |
AP3D | 0.80 | 0.77 | 0.72 | 0.74 | 0.83 | 0.67 | 0.60 | 0.68 |
AT3D | 0.78 | 0.80 | 0.68 | 0.72 | 0.86 | 0.66 | 0.58 | 0.65 |
CATS3D | 0.79 | 0.67 | 0.57 | 0.63 | 0.83 | 0.64 | 0.60 | 0.66 |
PHAP2PT3D | 0.79 | 0.69 | 0.56 | 0.62 | 0.83 | 0.63 | 0.58 | 0.62 |
PHAP3PT3D | 0.73 | 0.73 | 0.58 | 0.68 | 0.86 | 0.59 | 0.55 | 0.58 |
RAD3 | 0.73 | 0.73 | 0.63 | 0.70 | 0.86 | 0.63 | 0.57 | 0.69 |