Table 3

Test Ligands and their training sets
Ligand Test Cases (PDB codes)
ATP 1A0I 1A82 1ASZ 1E8X 1FMW 1G5T 1GN8 1JWA 1XEX 2BUP
GLC 1AC0 3ACG 1FAE 1GWM 1H5V 1J0K 1JLX 1K9I 2J0Y 2ZX3
DHT 1AFS 1DHT 1I37 1I38 1KDK 2PIO 2PIP 3KLM 3L3X 3L3Z
HEM 1AOQ 1B0B 1CC5 1D0C 1DLY 1EW0 1SOX 1MZ4 2HBG 2Z6F

Cipriano et al.

Cipriano et al. BMC Bioinformatics 2012 13:314   doi:10.1186/1471-2105-13-314

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