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. 2023 Jan 6;12(1):13. doi: 10.1007/s13721-023-00409-2

Table 3.

Comparison of the results obtained from the prior model and that of the fine-tuned model with different evaluation metrics

Metric Prior Fine-tune with QED as scoring function Fine-tune with DRD2 as scoring function
Valid 1 1 1
Unique 1 1 0.99
QED 0.19 0.65 0.21
DRD2-active 0.03 0.02 0.89
Avg. no. of nodes in graph 21.38 21.61 21.61