Table 3 Vincristine interaction with transport proteins across the cellular membranes
Parameters | Predicted value | Explanation |
|---|---|---|
P-glycoprotein (Pgp) substrate | Yes (99%) | Predicts whether or not the compound is P-glycoprotein substrate (Yes/No) Overall accuracy = 86% |
P-glycoprotein (Pgp) inhibitor | Yes (97%) | Predicts whether or not the compound is P-glycoprotein inhibitor (Yes/No) Overall accuracy = 88% |
OATP1B3 substrate | Yes (91%) | Predicts whether or not the compound is OATP1B3 substrate (Yes/No) Overall accuracy = 87.4% |
OATP1B1 substrate | Yes (76%) | Predicts whether or not the compound is OATP1B1 substrate (Yes/No) Overall accuracy = 86% |
OATP1B1 Km | 2.911 | Kinetic Michaelis–Menten atom-level Km constants in μM for OATP1B1 transporter. RMSE/MAE = 0.40/0.31 log units |