Compound Registration is a system built upon a set of web services aiding the users to decide on the uniqueness of new small molecules compared to others already stored in the database. The decisions are made according to the corporate business logic. The system also includes a database (the registry) designed to store the relevant structural and accompanying information.
The compounds to be registered go through normalization, validation and quality check steps, and in case of any issues that cannot be fixed automatically, they fall into a staging area. Upon successful registration, the compound can be stored in a three-level hierarchy. The related compounds are grouped together in a compound tree. Easily configurable corporate registration IDs can be automatically generated at any of the hierarchy levels.
Chemaxon provides Compound Registration with web service interfaces for client input and output, for administration and configuration purposes, and for amending the content of the registry. Middle tier web services are available for data polling from upstream systems and for data extraction for downstream systems. A web browser based user interface is available for registration of individual compounds, submission correction, amendment, search, and administration procedures.