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Figure 2 | Journal of Cheminformatics

Figure 2

From: Building an R&D chemical registration system

Figure 2

Hierarchy of molecule, substance, and batch entities in the UCD. Example of the hierarchy is shown for a 2-cyanoacetic acid. Three substances are associated with the molecule: two salts and one neutral substance. Each substance gets a coded letter after the molecule code (e.g., A in UCD01234567-A). Several batches are registered for each substance. Batch codes are generated incrementally upon registration and also serve as submission ID. Batches can be re-assigned to other molecules.

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