Chemaxon

Chemaxon Calculator API

The Calculator API from Chemaxon — 25 operation(s) for calculator.

GitHub OpenAPI

Operations 25

POST /rest-v1/calculator/batch/calculate Proceed multiple calculations on multiple structures #
POST /rest-v1/calculator/calculate Proceed multiple calculations on a single structure #
POST /rest-v1/calculator/calculate/bbb BBB calculation #
POST /rest-v1/calculator/calculate/charge Charge calculation #
POST /rest-v1/calculator/calculate/cns-mpo CNS MPO calculation #
POST /rest-v1/calculator/calculate/conformer Conformer calculation #
POST /rest-v1/calculator/calculate/elemental-analysis Elemental analysis calculation #
POST /rest-v1/calculator/calculate/hbda HBDA calculation #
POST /rest-v1/calculator/calculate/herg-activity hERG activity calculation #
POST /rest-v1/calculator/calculate/herg-class hERG class calculation #
POST /rest-v1/calculator/calculate/hlb HLB number calculation #
POST /rest-v1/calculator/calculate/isoelectric-point Isoelectric point calculation #
POST /rest-v1/calculator/calculate/logd LogD calculation #
POST /rest-v1/calculator/calculate/logp LogP calculation #
POST /rest-v1/calculator/calculate/major-microspecies Major microspecies calculation #
POST /rest-v1/calculator/calculate/nmr NMR calculation #
POST /rest-v1/calculator/calculate/partial-elemental-analysis Partial elemental analysis calculation #
POST /rest-v1/calculator/calculate/pka pKa calculation #
POST /rest-v1/calculator/calculate/pka-distribution pKa distribution calculation #
POST /rest-v1/calculator/calculate/polar-surface-area Polar surface area (PSA) calculation #
POST /rest-v1/calculator/calculate/solubility Solubility calculation #
POST /rest-v1/calculator/calculate/stereoisomer Stereoisomer calculation #
POST /rest-v1/calculator/calculate/tautomerization-canonical Canonical-Tautomerization calculation #
POST /rest-v1/calculator/calculate/tautomerization-dominant Dominant-Tautomerization calculation #
POST /rest-v1/calculator/calculate/topology-analyser Topology analyser calculations #

Documentation

📖
Documentation
https://docs.chemaxon.com/latest/jchem-microservices_developer-guide.html
📖
Documentation
https://docs.chemaxon.com/latest/compound-registration_api-documentation.html

Specifications

⚙
OpenAPI
https://artifacts.apis.io/chemaxon/openapi/chemaxon-calculator-api-openapi.yml

Schemas & Data

📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-calculators-structure-request-topology-analyser-request-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-elemental-analysis-calculators-structure-request-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-calculators-structure-request-stereoisomer-request-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-calculators-structure-request-nmr-request-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-calculators-structure-request-pka-request-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-calculators-structure-request-polar-surface-area-request-schema.json

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OpenAPI Specification

chemaxon-calculator-api-openapi.yml Raw ↑ 
openapi: 3.2.0
info:
  title: Chemaxon Calculator API
  version: 26.1.3
  description: 'Operations tagged Calculator across 2 of this provider''s published API definitions: chemaxon-calculations-openapi.json, chemaxon-calculations-openapi.yml. Each path carries the servers of the definition it was published in.'
servers:
- url: https://jchem-microservices.chemaxon.com/jws-calculations
tags:


# --- truncated at 32 KB (132 KB total) ---
# Full source: https://artifacts.apis.io/chemaxon/openapi/chemaxon-calculator-api-openapi.yml