Table 1.

The proposed model quality metrics at various sampling temperatures.

Temperature	Validity (%)	Uniqueness (%)	Novelty (%)
0.30	69.50	85.26	87.41
0.50	70.00	90.55	87.21
0.60	70.32	96.25	89.29
0.75	70.50	99.83	98.99
0.80	65.23	97.46	96.57
1.00	60.23	90.30	85.68
1.20	55.50	89.25	85.39

We sampled 10,000 SMILES for each temperature.