Predict drug–target interaction (pKd)
predict_dtiPredict drug–target binding affinity as pKd (−log10 Kd; higher = stronger binding) using IBM MAMMAL. Inference is CPU-bound and may take up to ~60s.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| drug_seq | Yes | Drug structure in SMILES notation. | |
| norm_y_std | No | Optional normalization standard-deviation override. | |
| target_seq | Yes | Target protein amino-acid sequence (single-letter codes). | |
| norm_y_mean | No | Optional normalization mean override. |