Table 5:
Summary of the FDA-approved drugs that are potential potent inhibitors of KOR and DOR with BA <−9.54 kcal/mol whist being potential weak inhibitors of MOR and DOR with BA >−9.54 kcal/mol. The predicted binding affinities (unit: kcal/mol) by our ML-models are provided. The reliability scores of the ML-prediction are given in the parenthesis.
| Drugbank ID | Generic Name | BA-MOR | BA-KOR | BA-DOR | |
|---|---|---|---|---|---|
| 1 | DB00193 | Tramadol | −7.72 (1.00) | −10.40 (1.00) | −10.62 (1.00) |