TABLE 8.
Compounds from the database similar to Tubocuraine (CID = 6,000, in bold) in terms of the four descriptors of the final model. The“Cross” column contains the actual placental transfer class (C or NC).
| CID | Name | KRFPC435 | KRFPC566 | KRFPC3948 | KRFPC4830 | Cross |
|---|---|---|---|---|---|---|
| 47,320 | Atracurium Besilate | 8 | 0 | 0 | 0 | NC |
| 21,233 | Dimethyl-Tubocurarine | 6 | 0 | 0 | 0 | NC |
| 6,000 | Tubocuraine | 4 | 0 | 0 | 0 | C |
| 5,750 | Pethidine (Meperidine) | 2 | 0 | 0 | 0 | C |
| 4,062 | Mepivacaine | 1 | 0 | 0 | 0 | C |
| 43,708 | Cefotiam | 1 | 0 | 0 | 0 | C |
| 89,594 | Nicotine | 1 | 0 | 0 | 0 | C |
| 5288826 | Morphine | 1 | 0 | 0 | 0 | C |
| 2,801 | Clomipramine | 1 | 0 | 0 | 0 | C |