Table 1.

The average number of seed points for each ligand type in the benchmark dataset.

Ligand type	Average Number of Seed Points	Molecular mass (g/mol) a
AMP	23.7	347.22
ATP	29.5	507.18
FAD	44.1	785.55
FMN	27.7	456.34
GLC	15.2	180.16
HEM	36.9	616.49
NAD	36.8	663.43
PO4	9.7	94.97
STR	22.2	278.8

^(a)These values are taken from Chikhi et al. [14].