Table 1. Overall Classification of the Data Set Used for Validating the BPMD Toola.
| category | number of structures |
|---|---|
| green: ligand supported by ED | 29 (30) |
| amber: ligand partially supported by ED | 18 |
| red: ligand with ambiguous density | 16 (21) |
The number in parenthesis represents the overall number of ligands identified from both manual literature search and Twilight database filtering.