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Data splits used in DeepSnap on modeling of the three MIE targets.
| Data Splits in DeepSnap_Python | Data Splits in DeepSnap_DIGITS | |||
|---|---|---|---|---|
| PubChem Assay AID | No. | Type | No. | Type |
| 720725_GR_ant | 7 | 1:1:1, 2:2:1, 3:3:1, 4:4:1, 5:5:1, 5:3:2, 7:1:2 | 7 | 1:1:1, 2:2:1, 3:3:1, 4:4:1, 5:5:1, 5:3:2, 7:1:2 |
| 1347030_TRHR_ago | 3 | 1:1:1, 3:1:2, 5:3:4 | 3 | 1:1:1, 3:1:2, 5:3:4 |
| 1347032_TGF_beta | 8 | 1:1:1, 2:2:1, 3:1:1, 3:2:1, 5:3:2, 5:5:1, 6:1:2, 7:1:2 |
8 | 1:1:1, 2:2:1, 3:1:1, 3:2:1, 5:1:1, 5:3:2, 6:1:2, 7:1:2 |
