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. 2021 May 26;12:3156. doi: 10.1038/s41467-021-23415-2

Table 1.

Spearman’s correlation coefficient between benchmark metrics for results using the masked graph model on the QM9 dataset.

Validity Uniqueness Novelty KL Div Fréchet Dist
Validity 1.00 −0.56 −0.83 0.73 0.75
Uniqueness −0.56 1.00 0.50 −0.32 −0.37
Novelty −0.83 0.50 1.00 −0.94 −0.95
KL Div 0.73 −0.32 −0.94 1.00 0.99
Fréchet Dist 0.75 −0.37 −0.95 0.99 1.00