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. 2025 May 30;17:87. doi: 10.1186/s13321-025-01030-3

Table 4.

Symmetry-aware accuracy of SAMMNet and AMNet for different configurations

Configuration SAMMNet (%) ± std AMNet (%) ± std
Train/Test on USPTO-50 K 97.37 ± 0.06 NA
Train on USPTO-15 K/Test on USPTO-50 K 91.78 ± 0.09 NA
Train on USPTO-50 K/Test on USPTO-15 K 95.42 ± 0.12 NA
Train/Test on USPTO-15 K 98.02± 0.05 97.30 ± 0.10

“NA” denotes that the value is unavailable for the configuration

Bold values indicate the best-performing results for each evaluation metric