Table 4 Summary statistics of high-value compound (HVC) contents per cluster
From: PubChem structure–activity relationship (SAR) clusters
The number of HVCs | ||||
|---|---|---|---|---|
Potency | MeSH | Pharm | Any | |
Assay-based clusters | ||||
\(\bar{x}\) | 1.3 | 0.5 | 0.3 | 1.7 |
s | 3.9 | 1.9 | 1.5 | 4.2 |
Minimum | 0 | 0 | 0 | 0 |
Maximum | 575 | 485 | 139 | 575 |
Target-based clusters | ||||
\(\bar{x}\) | 2.0 | 0.6 | 0.4 | 2.4 |
s | 8.0 | 2.4 | 1.9 | 8.5 |
Minimum | 0 | 0 | 0 | 0 |
Maximum | 874 | 291 | 109 | 895 |
Pathway-based clusters | ||||
\(\bar{x}\) | 1.7 | 0.7 | 0.4 | 2.4 |
s | 7.1 | 3.0 | 1.9 | 7.8 |
Minimum | 0 | 0 | 0 | 0 |
Maximum | 852 | 256 | 109 | 886 |