Introduction¶
JChem Microservices provide microservices in small separate modules for different areas of Chemaxon functionalities like chemical dataset searching, conversion between chemical file formats.
JChem Microservices consists of two types of microservice modules: common modules and chemical functional modules.
The common modules ensure the technical framework for the separate chemical functional microservice modules working together as a system.
The chemical functional modules make possible to reach the chemical functionalities provided by other Chemaxon products through microservices interface.
Common modules
- Config service
- Discovery service
- Gateway service
Chemical functional modules
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Calculation Web Services provide endpoints for chemical property calculations and chemical-term evaluation.
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DB Web Services provide methods for storing and searching chemical structures in a persistent database
There are methods for
- creating / deleting tables,
- inserting / deleting / modifying structures and data in the tables,
- executing duplicate, substructure, full fragment and similarity searches.
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Input/Output (IO) Web Services provide methods 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.
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Markush Web Services provide enumeration of Markush structures.
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Reactor Web Services provide endpoints for Reactor operations.
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Structure Checker Web Services
Structure Checker Web Services provide methods for
- structure checking,
- structure fixing.
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Structure Manipulation Web Services
Structure Manipulation Web Services provide methods 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.