Novelty Checking

For novelty checking of new designed chemical compounds, Novamechanics Ltd has developed Novelty Checking Enalos Suite function. This function gives the user access to UniChem database, which contains 31 chemical databases (e.g ChEMBL, PubChem, DrugBank, KEGG, ZINC, BindinDB, eMolecules, IBM patents, SureChEMBL etc) in order to check if a compound exists in these databases.

Novelty Checking function outputs the InChiKeys of the compounds that were found in all 31 UniChem databases and the InChiKeys that were not found in these UniChem databases, displayed in two .xlsx files.