ID hit/ compound | Fgpt | Reference (queries) | |||||||
RG108-GGGKQVY | RG108-KQVY | L112-0668 | L112-0728 | L485-2669 | L483-0323 | L485-2761 | M056-0726 | ||
L112-0729 | MACCSa | 0.51 | 0.49 | 0.78 | 0.94 | 0.66 | 0.65 | 0.61 | 0.71 |
ECFP6b | 0.09 | 0.08 | 0.62 | 0.84 | 0.13 | 0.13 | 0.13 | 0.14 | |
L485-2687 | MACCS | 0.62 | 0.60 | 0.56 | 0.62 | 1.00 | 0.82 | 0.90 | 0.71 |
ECFP6 | 0.08 | 0.08 | 0.10 | 0.11 | 0.75 | 0.21 | 0.52 | 0.12 | |
L485-2777 | MACCS | 0.59 | 0.57 | 0.59 | 0.57 | 0.89 | 0.79 | 0.98 | 0.64 |
ECFP6 | 0.09 | 0.09 | 0.14 | 0.12 | 0.54 | 0.23 | 0.82 | 0.13 | |
L112-0716 | MACCS | 0.48 | 0.46 | 0.98 | 0.73 | 0.57 | 0.61 | 0.61 | 0.67 |
ECFP6 | 0.10 | 0.08 | 0.78 | 0.58 | 0.14 | 0.13 | 0.15 | 0.15 | |
L112-0706 | MACCS | 0.51 | 0.49 | 0.90 | 0.76 | 0.62 | 0.61 | 0.57 | 0.70 |
ECFP6 | 0.10 | 0.09 | 0.71 | 0.61 | 0.16 | 0.13 | 0.14 | 0.15 | |
L112-0698 | MACCS | 0.57 | 0.56 | 0.75 | 0.82 | 0.78 | 0.76 | 0.72 | 0.79 |
ECFP6 | 0.11 | 0.09 | 0.63 | 0.68 | 0.18 | 0.18 | 0.18 | 0.17 | |
3909-9992 | MACCS | 0.61 | 0.59 | 0.59 | 0.64 | 0.92 | 0.80 | 0.83 | 0.77 |
ECFP6 | 0.10 | 0.10 | 0.17 | 0.14 | 0.18 | 0.20 | 0.15 | 0.16 | |
C066-0242 | MACCS | 0.59 | 0.57 | 0.57 | 0.61 | 0.92 | 0.78 | 0.83 | 0.77 |
ECFP6 | 0.11 | 0.10 | 0.11 | 0.11 | 0.16 | 0.17 | 0.13 | 0.20 | |
V011-9764 | MACCS | 0.58 | 0.57 | 0.54 | 0.61 | 0.90 | 0.76 | 0.82 | 0.71 |
ECFP6 | 0.10 | 0.10 | 0.11 | 0.13 | 0.24 | 0.19 | 0.20 | 0.17 |