Table 2 Percentages of generated molecules satisfying the constraints at each iteration of transfer learning
From: Multiobjective de novo drug design with recurrent neural networks and nondominated sorting
Iterations | Number of constraints satisfied | ||||
|---|---|---|---|---|---|
 ≥ 1 constraints (%) |  ≥ 2 constraints (%) |  ≥ 3 constraints (%) |  ≥ 4 constraints (%) |  ≥ 5 constraints (%) | |
0 | 98.20 | 84.92 | 48.53 | 14.14 | 2.36 |
1 | 99.79 | 95.94 | 71.67 | 24.31 | 4.59 |
2 | 99.99 | 99.00 | 83.52 | 39.33 | 10.46 |
3 | 99.99 | 99.27 | 90.28 | 56.25 | 20.85 |
4 | 100 | 97.92 | 89.08 | 58.82 | 26.82 |
5 | 100 | 97.58 | 90.70 | 63.85 | 32.62 |