Table 5.

Comparisons of performance with state-of-the-art methods on regression datasets, splitting the datasets by scaffold splitting in a ratio of 8:1:1 (lower values are better)

Methods	Lipophilicity	PDBbind
MolNet [1]	$0.655\pm 0.036$	$1.920\pm 0.070$
RF on Morgan [19]	$0.908\pm 0.052$	$2.011\pm 0.240$
FFN on Morgan [19]	$1.045\pm 0.042$	$2.737\pm 0.518$
FFN on Morgan Counts [19]	$1.003\pm 0.068$	$3.015\pm 0.636$
FFN on RDKit [19]	$0.792\pm 0.032$	$1.842\pm 0.252$
DMPNN [19]	$0.648\pm 0.057$	$1.858\pm 0.300$
Ours	$0.590\pm 0.038$	$1.599\pm 0.199$