chemistry

Convert a SMILES/InChI structure to canonical SMILES, InChI, InChIKey, formula

Converts a chemical structure given as SMILES or InChI into all the common canonical text forms — canonical SMILES, InChI, InChIKey, and molecular formula — fully locally via RDKit, so it works on any valid structure including novel/unregistered ones. A name or InChIKey is a reverse lookup (not offline-convertible) — use /chemistry/compound/lookup for those. Unparseable structure -> confidence 0.0; a bad or unsupported input_format is a request-shape error, rejected unbilled (400 INVALID_INPUT). Charges 1 cost_unit.

post/v1/chemistry/structure/convert

Request

  • Base URL: https://api.snipget.ai (the document declares no server; this is the origin it was published from)
  • URL: https://api.snipget.ai/v1/chemistry/structure/convert
  • Auth: none declared

Query parameters

include_receiptboolean

Set true to attach an execution receipt at meta.receipt — caller-verifiable sha256 hashes over the RFC 8785 (JCS) canonicalization of this call's as-received JSON body and its result (free, like include_trace). Reproduce with any JCS library: input_hash = sha256(jcs({"tool": <request path>, "args": <your body minus include_trace/include_receipt>})); result_hash = sha256(jcs(result)). For deterministic tools, same input on the same build reproduces result_hash.

Headers

authorizationstring nullable
X-API-Keystring nullable

Request body

valuestring required

The structure to convert, as a SMILES or InChI string.

input_formatstring

Input structure format: auto (default — detects InChI by its 'InChI=' prefix, else SMILES), smiles, or inchi.

include_traceboolean

Response

Successful Response

statusstring
confidencenumber required

Changes

No recorded changes to this operation across all 1 revision of this API.