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

Table 7.

Performance comparison of S2DTA based on the real and predictive structures of targets.

Model Structures of Targets MAE RMSE PCC Spearman CI R 2
S2DTA Real structures 1.046 1.316 0.792 0.787 0.799 0.627
Predictive structures 1.133 1.432 0.748 0.749 0.780 0.558