Table 1 LigGrep criteria for assessing user-defined filters
From: LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates
Has substructure | Exclude flag set | Any substructure atom within cutoff distance | Result |
|---|---|---|---|
No | No | N/a | Fail |
No | Yes | N/a | Pass |
Yes | No | No | Fail |
Yes | No | Yes | Pass |
Yes | Yes | No | Pass |
Yes | Yes | Yes | Fail |