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Numerosity of the Splits for Each Dataset and Number of Descriptors Selected
| Transformation | No. of selected Dragon Descriptors with VSURF | No. Of compounds in TS | No. Of compounds in EVS |
|---|---|---|---|
| Total LogK | 24 | 391 | 98 |
| Total √fu | 16 | 391 | 98 |
| Acids √fu | 8 | 97 | 25 |
| Base √fu | 18 | 158 | 40 |
| Neutral √fu | 10 | 109 | 28 |
| Zwitterions √fu | 6 | 47 | 8 |
