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. 2020 Jan 7;60(3):1528–1539. doi: 10.1021/acs.jcim.9b00843

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)
a

The number in parenthesis represents the overall number of ligands identified from both manual literature search and Twilight database filtering.