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. 2023 Dec 8;28(24):8005. doi: 10.3390/molecules28248005

Table 2.

Performance comparison of different graph-based models.

Model Feature Representation MAE RMSE PCC Spearman CI R 2
GCN one-hot encoding 1.393 1.743 0.601 0.589 0.707 0.354
GIN one-hot encoding 1.524 1.842 0.532 0.549 0.692 0.279
GAT one-hot encoding 1.708 2.091 0.296 0.313 0.606 0.070
GraphSAGE one-hot encoding 1.127 1.417 0.758 0.745 0.778 0.573