From: Maximum common property: a new approach for molecular similarity
Molecule | \({\hbox {IC}}_{50}\) | Correlation | |||
---|---|---|---|---|---|
\({\hbox {r}}_{\mathrm{xy}}\) a | \({\hbox {r}}_{\mathrm{xy}}\) b | \({\hbox {r}}_{\mathrm{xy}}\) c | \({\hbox {r}}_{\mathrm{xy}}\) d | ||
8c | 0.05 | 0.57 | 0.68 | 0.55 | 0.43 |
7c | 0.06 | 0.50 | 0.69 | 0.47 | 0.43 |
8f | 0.09 | 0.44 | 0.62 | 0.24 | 0.40 |
8l | 0.09 | 0.45 | 0.71 | 0.33 | 0.53 |
6c | 0.106 | 0.45 | 0.50 | 0.40 | 0.44 |
8b | 0.12 | 0.49 | 0.05 | 0.36 | 0.35 |
7l | 0.17 | 0.44 | 0.42 | 0.38 | 0.47 |
6i | 0.18 | 0.39 | 0.46 | 0.37 | 0.45 |
8i | 0.18 | 0.48 | 0.82 | 0.50 | 0.48 |
8d | 0.19 | 0.26 | 0.00 | 0.20 | 0.30 |
8e | 0.19 | 0.31 | 0.42 | 0.14 | 0.28 |
8h | 0.20 | 0.38 | 0.41 | 0.30 | 0.40 |
8a | 0.24 | 0.42 | 0.19 | 0.26 | 0.40 |
7f | 0.25 | 0.34 | 0.33 | 0.15 | 0.41 |
7b | 0.26 | 0.50 | − 0.02 | 0.42 | 0.37 |
7i | 0.26 | 0.28 | 0.76 | 0.22 | 0.46 |
7h | 0.28 | 0.26 | 0.49 | 0.14 | 0.34 |