SubstanceRegistry
ScreenAble supplies a Substance Registration system customizable for a variety of substance types. Tables for managing substances, their lot information and chemical descriptors are present. Customers may use this system or adapt an existing chemo-informatic package through the use of table views, etc. if placed in the same database instance.
ScreenAble Solutions offers professional services to address specific registry needs. Expert consulting and code development for system integration is available.
Structural information is not always available and is not required for using ScreenAble. What is required are unique SUBSTANCE_ID and SUBSTANCE_LOT_ID identifiers since they serve as primary keys for their respective tables.
If available, chemical information can be generated from SMILES, INCHI or Structure Data file sources. A utility SDFileReader powered by NCDK 1.6.1(see components) is supplied to interconvert formats and generate descriptors. All three formats are represented in the Substance table.