TABLE VII.

Mean ± std. over four runs of mean squared error in binding affinity prediction of targets in BindingDB, lower is better.

(μ ± σ)	P00918	P14416
LEGS-FCN	0.0318 ± 0.0009	0.0441 ± 0.0013
LEGS-ATTN-FCN	0.0332 ± 0.0016	0.0424 ± 0.0012
LEGS-FIXED	0.0597 ± 0.0017	0.0514 ± 0.0020
MP-LEGS-FCN	0.1991 ± 0.0014	0.1429 ± 0.0034
GraphSAGE	0.1083 ± 0.0074	0.1106 ± 0.0087
GCN	0.1072 ± 0.0053	0.0994 ± 0.0039
GIN	0.0615 ± 0.0022	0.0583 ± 0.0036
Baseline	0.1137 ± 0.0076	0.1201 ± 0.0068