Table 3. Evaluation Results (Mean and Standard Deviation) Using Fivefold Cross Validation.

			RMSE	MAE
model	R2	Spearman	(log S)	(log S)
MDM	0.7676±0.0067	0.8797±0.0038	1.0841±0.0312	0.7173±0.0132
GNN	0.7539 ± 0.0103	0.8713 ± 0.0043	1.1156 ± 0.0378	0.7504 ± 0.0196
SMILES	0.7369 ± 0.0083	0.8643 ± 0.0035	1.1536 ± 0.0381	0.7843 ± 0.0268
SCHNET	0.6946 ± 0.0105	0.8411 ± 0.0046	1.2429 ± 0.0327	0.8702 ± 0.0273