Benchling Molecule API

A Molecule represents a small molecule chemical compound in Benchling that is imported either as a MolFile or using SMILES (Simplified Molecular Input Line Entry System) notation. Molecules are registry entities that can be registered, searched, and linked to other items. When present, the `canonicalSmiles` field provides a standardized SMILES representation for comparison, while originalSmiles preserves the user-provided SMILES and may be null if SMILES was not provided at creation. Molecules support custom fields via schemas and can be organized in folders and projects.

Business capability
Compound & Library Management BC-1500.60

Operations 9

POST /molecule Create Molecule #
GET /molecule/items List Molecule items #
GET /molecule/{molecule_id} Get Molecule by ID #
PATCH /molecule/{molecule_id} Update Molecule #
GET /molecule/{molecule_id}/authors/items List Principal items #
POST /molecule:batch-create Batch create Molecule #
PATCH /molecule:batch-update Batch update Molecule #
POST /molecule:bulk-create Bulk create Molecule #
PATCH /molecule:bulk-update Bulk update Molecule #

Documentation

Specifications

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OpenAPI Specification

benchling-molecule-api-openapi.yml Raw ↑
openapi: 3.2.0
info:
  license:
    name: Apache 2.0
    url: http://www.apache.org/licenses/LICENSE-2.0.html
  title: Benchling Molecule API
  version: 2.0.0
  description: 'A Molecule represents a small molecule chemical compound in Benchling that is imported either as a MolFile or

    using SMILES (Simplified Molecular Input Line Entry System) notation.'
servers:
- url: /api/v3
security:
- oAuth: []
- basicApiKeyAuth: []
tags:


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# Full source: https://raw.githubusercontent.com/api-evangelist/benchling/refs/heads/main/openapi/benchling-molecule-api-openapi.yml