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Property prediction · Cheminformatics

Boltz ADME API

Predict Tier-1 ADME summary properties (lipophilicity, permeability, and solubility) for a batch of small molecules by SMILES.

ADME prediction scores a batch of small molecules for Tier-1 ADME summary properties (lipophilicity, permeability, and solubility) directly from SMILES. You submit a list of molecules and get back one result object with a per-molecule summary, returned in the same order you submitted them. It runs to completion and cannot be paused or stopped.

Web form Documentation ↗ Home page ↗
Submit POST /api/boltz_adme/

Queues a run and returns 202 with the job.

Schema GET /api/boltz_adme/

Returns this tool's metadata and the fields below, as JSON.

Runtime

Requires the setup_system.sh client environment, network access, Boltz credits, and BOLTZ_API_KEY · Python app (uv) · Moderate (s)

License

Proprietary. The only hosted tool in the registry, and the only one whose terms are a contract rather than a licence: the boltz-api client is open, but adme-v1 itself runs on Boltz's servers under their terms of service, billed against account credits. Molecules submitted here leave this host.

Request body

Fields

The same names the web form posts. See the field type table for what each kind means over HTTP.

Name Type Required Default Description
smiles string textarea yes CC(=O)OC1=CC=CC=C1C(=O)O CC(C)Cc1ccc(cc1)C(C)C(=O)O Molecules as SMILES One SMILES string per line; 1 to 128 molecules.
Example

A request that runs

These are the defaults, exactly as the web form would post them.

curl -X POST https://athanortools.com/api/boltz_adme/ \
  -H 'Content-Type: application/json' \
  -d '{
  "smiles": "CC(=O)OC1=CC=CC=C1C(=O)O\nCC(C)Cc1ccc(cc1)C(C)C(=O)O"
}'

The reply is 202 with a queued job; poll its status_url until status is succeeded or failed. See the quick start for the whole exchange.

Responses

What comes back

statusMeaning
queued Accepted, waiting for the jobs ahead of it. `position` counts how many those are.
running The tool is executing now.
succeeded Finished; `result` holds the tool's output and `license` the terms it came under.
failed Finished; `error` holds a code and a message.
cancelled Abandoned at the submitter's request; there is no result. A job cancelled before its turn never ran at all.

Errors

codeMeaning
invalid_input The client supplied invalid or incomplete input.
tool_unavailable The requested third-party dependency is not available on this host.
execution_failed A configured third-party tool exited unsuccessfully.
internal_error An adapter failed in a way it does not describe. The detail is in the server log, not the response.
not_found No job has that id. Finished jobs are dropped eventually.