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. 2026 Jun 20;18:126. doi: 10.1186/s13321-026-01244-z

Table 2.

Performance comparison between DCPM and state-of-the-art (SOTA) methods on regression task

Method Regression (RMSE↓)
ESOL FreeSolv Lipophilicity
DCPM 1.029 ± 0.0076 2.4621 ± 0.0176 0.9252 ± 0.0026
ECFP 1.9518 ± 0.0044 4.2936 ± 0.0117 1.0515 ± 0.0013
KERMT 1.1565 ± 0.0034 3.027 ± 0.0296 0.917 ± 0.0023
KPGT 1.5301 ± 0.0 3.6052 ± 0.0 1.0386 ± 0.0001
MoleculeSTM-Graph 1.468 ± 0.0128 3.6389 ± 0.0151 1.0377 ± 0.0008
MPG 1.4905 ± 0.0047 3.4328 ± 0.0288 1.0098 ± 0.0049
Mole-BERT 1.6142 ± 0.0052 3.119 ± 0.0469 0.9049 ± 0.0037