BioChemUDM: a unified data model for compounds and assays

We present a simple, biochemistry data model (BioChemUDM) to represent compounds and assays for the purpose of capturing, reporting, and sharing data, both biological and chemical. We describe an approach to register a compound based solely on a stereo-enhanced sketch, thereby replacing the need for additional user-specified “flags” at the time of compound registration. We describe a convention for string-based labels that enables inter-organizational compound and assay data sharing. By co-adopting the BioChemUDM, we have successfully enabled same-day exchange and utilization of chemical and biological information with various stakeholders.