Computational drug discovery
Prodrug prediction from SMILES
Submit one to ten molecular structures. The service returns a screening probability and a fixed-scale prodrug-likeness score for every valid molecule.
10SMILES per screening
2Complementary model scores
40Selected Avalon features
Live research tool
Batch molecular screening
Add names for readability, then enter valid SMILES strings.
Model output
Screening results
| Rank | Molecule | SMILES | Screening probability | Prodrug-likeness |
|---|
How to read the output
Two signals, one screening view
Scores support research prioritization. They do not replace experimental, pharmacokinetic, toxicological or clinical validation.
- Screening probability
The ExtraTrees classifier output for the positive prodrug class. It is intentionally described as uncalibrated. - Prodrug-likeness
The one-class LOF score mapped to a fixed 0 to 100 percentile scale using the training reference distribution. - Rank
Valid entries are ranked by screening probability while the original input order remains visible in the table.