| Metrics . | Single fragment + . | Two fragments . | Three fragments . | Three fragments + All . | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
| – . | MW . | LogP . | QED . | SA . | All . | |||||
| Conditional metrics | SFF (%) | 96.59 | 96.31 | 96.51 | 96.68 | 96.71 | 95.71 | 91.76 | 83.36 | 77.64 |
| Recovery (%) | 9.65 | 20.38 | 14.69 | 12.00 | 12.46 | 29.46 | 35.87 | 63.25 | 85.74 | |
| Recovery (%) (Tc > 0.6) | 23.17 | 26.87 | 24.97 | 24.26 | 25.03 | 36.92 | 61.11 | 84.44 | 91.59 | |
| MOSES metrics | Validity (%) | 99.83 | 99.29 | 99.80 | 99.82 | 99.80 | 97.49 | 99.47 | 99.01 | 86.48 |
| Uniqueness (%) | 63.92 | 56.71 | 57.34 | 58.92 | 56.61 | 55.33 | 33.67 | 26.93 | 33.41 | |
| IntDiv | 0.60 | 0.64 | 0.60 | 0.59 | 0.58 | 0.64 | 0.47 | 0.41 | 0.46 | |
| Metrics . | Single fragment + . | Two fragments . | Three fragments . | Three fragments + All . | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
| – . | MW . | LogP . | QED . | SA . | All . | |||||
| Conditional metrics | SFF (%) | 96.59 | 96.31 | 96.51 | 96.68 | 96.71 | 95.71 | 91.76 | 83.36 | 77.64 |
| Recovery (%) | 9.65 | 20.38 | 14.69 | 12.00 | 12.46 | 29.46 | 35.87 | 63.25 | 85.74 | |
| Recovery (%) (Tc > 0.6) | 23.17 | 26.87 | 24.97 | 24.26 | 25.03 | 36.92 | 61.11 | 84.44 | 91.59 | |
| MOSES metrics | Validity (%) | 99.83 | 99.29 | 99.80 | 99.82 | 99.80 | 97.49 | 99.47 | 99.01 | 86.48 |
| Uniqueness (%) | 63.92 | 56.71 | 57.34 | 58.92 | 56.61 | 55.33 | 33.67 | 26.93 | 33.41 | |
| IntDiv | 0.60 | 0.64 | 0.60 | 0.59 | 0.58 | 0.64 | 0.47 | 0.41 | 0.46 | |
| Metrics . | Single fragment + . | Two fragments . | Three fragments . | Three fragments + All . | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
| – . | MW . | LogP . | QED . | SA . | All . | |||||
| Conditional metrics | SFF (%) | 96.59 | 96.31 | 96.51 | 96.68 | 96.71 | 95.71 | 91.76 | 83.36 | 77.64 |
| Recovery (%) | 9.65 | 20.38 | 14.69 | 12.00 | 12.46 | 29.46 | 35.87 | 63.25 | 85.74 | |
| Recovery (%) (Tc > 0.6) | 23.17 | 26.87 | 24.97 | 24.26 | 25.03 | 36.92 | 61.11 | 84.44 | 91.59 | |
| MOSES metrics | Validity (%) | 99.83 | 99.29 | 99.80 | 99.82 | 99.80 | 97.49 | 99.47 | 99.01 | 86.48 |
| Uniqueness (%) | 63.92 | 56.71 | 57.34 | 58.92 | 56.61 | 55.33 | 33.67 | 26.93 | 33.41 | |
| IntDiv | 0.60 | 0.64 | 0.60 | 0.59 | 0.58 | 0.64 | 0.47 | 0.41 | 0.46 | |
| Metrics . | Single fragment + . | Two fragments . | Three fragments . | Three fragments + All . | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
| – . | MW . | LogP . | QED . | SA . | All . | |||||
| Conditional metrics | SFF (%) | 96.59 | 96.31 | 96.51 | 96.68 | 96.71 | 95.71 | 91.76 | 83.36 | 77.64 |
| Recovery (%) | 9.65 | 20.38 | 14.69 | 12.00 | 12.46 | 29.46 | 35.87 | 63.25 | 85.74 | |
| Recovery (%) (Tc > 0.6) | 23.17 | 26.87 | 24.97 | 24.26 | 25.03 | 36.92 | 61.11 | 84.44 | 91.59 | |
| MOSES metrics | Validity (%) | 99.83 | 99.29 | 99.80 | 99.82 | 99.80 | 97.49 | 99.47 | 99.01 | 86.48 |
| Uniqueness (%) | 63.92 | 56.71 | 57.34 | 58.92 | 56.61 | 55.33 | 33.67 | 26.93 | 33.41 | |
| IntDiv | 0.60 | 0.64 | 0.60 | 0.59 | 0.58 | 0.64 | 0.47 | 0.41 | 0.46 | |
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