Table 1.

The number of molecules at each iteration for low HLG deep learning.

Iteration	DB name	Train data	Generated data	New train/test data
0	GDB-9	95,735	N/A	N/A
1	GEN-1	143,204	99,748	47,469/52,279
2	GEN-2	155,495	99,435	12,291/87,144
3	GEN-3	167,000	98,978	11,505/87,473
4	GEN-4	180,372	98,876	13,372/85,504
5	GEN-5	191,557	98,283	11,185/87,098
6	GEN-6	203,901	98,118	12,344/85,774