Chem Sa Score
Compute the synthetic accessibility (SA) score for a molecule supplied as a SMILES string, using the RDKit SA_Score contribution module. The algorithm encodes synthetic complexity from fragment frequency statistics across drug-like compounds. Scores run from 1 (minimal synthetic effort, simple building blocks) to 10 (highly complex, exotic or multi-step routes); practical benchmarks: <=3 readily accessible, 3-6 moderate synthetic challenge, >6 significant complexity. Accepts any SMILES parseabl…
Overview
Compute the synthetic accessibility (SA) score for a molecule supplied as a SMILES string, using the RDKit SA_Score contribution module. The algorithm encodes synthetic complexity from fragment frequency statistics across drug-like compounds. Scores run from 1 (minimal synthetic effort, simple building blocks) to 10 (highly complex, exotic or multi-step routes); practical benchmarks: <=3 readily accessible, 3-6 moderate synthetic challenge, >6 significant complexity. Accepts any SMILES parseable by RDKit. Useful for filtering synthetically intractable hits in virtual screening workflows.
Status
The most recent probe succeeded. Safe to call from the agent today.
- Last probed
- 1d ago
- Last success
- 1d ago
- Last latency
- 94ms
Schema
JSON Schema the agent (or your API call) must match.
{
"properties": {
"operation": {
"description": "Operation type",
"enum": [
"sa_score"
],
"type": "string"
},
"smiles": {
"description": "SMILES string of the molecule (e.g., 'CC(=O)Oc1ccccc1C(=O)O' for aspirin)",
"type": "string"
}
},
"required": [
"operation",
"smiles"
],
"type": "object"
}Examples (1)
Default Chem Sa Score call
{
"operation": "",
"smiles": "CC(=O)Oc1ccccc1C(=O)O"
}Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_Chem_sa_score
- Tool name
- Chem_sa_score
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse