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Introduction

JChem Microservices provides microservices in small separate modules for different areas of Chemaxon functionalities like chemical dataset searching and conversion between chemical file formats.

JChem Microservices consists of two types of services: common services and chemical services.

The common services ensure the technical framework for the separate chemical services working together as a system.

The chemical services make it possible to reach the chemical functionalities provided by other Chemaxon products through microservices interface.

Common services

  • Config Service
  • Discovery Service
  • Gateway Service

Chemical services

  • Calculations Service

    Provides endpoints for chemical property calculations and Chemical Terms evaluation.

  • Database Search Service

    Provides endpoints for storing and searching chemical structures in a persistent database

    There are endpoints for

    • creating / deleting tables,
    • inserting / deleting / modifying structures and data in the tables,
    • executing duplicate, substructure, full fragment and similarity searches.

  • Input/Output Service

    Provides endpoints for

    • converting molecules to different chemical file formats,
    • analyzing molecule string and defining its file format,
    • preparing molecule file for download,
    • collecting properties from molecule.

  • Structure Manipulation Service

    Provides endpoints for manipulations on chemical structures like

    • extracting textbox content from the structures,
    • cutting structures into their fragment structures,
    • two-dimensional and three-dimensional cleaning of chemical structures,
    • standardizing structures.