BioChemUDM: a unified data model for compounds and assays-Reference-Cited by-同舟云学术

BioChemUDM: a unified data model for compounds and assays

Published:2022-06-01 Issue:6 Volume:94 Page:737-744
ISSN:0033-4545
Container-title:Pure and Applied Chemistry
language:en
Short-container-title:

Author:

Kappler Michael A.¹,Lowden Christopher T.²,Culberson J. Chris²

Affiliation:

1. IDEAYA Biosciences Inc , 7000 Shoreline Blvd Ste 350 , South San Francisco , CA 94080 , USA

2. Workflow Informatics Corp , 9316 Bramden Ct , Wake Forest , NC 27587 , USA

Abstract

Abstract 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.

Publisher

Walter de Gruyter GmbH

Subject

General Chemical Engineering,General Chemistry

Link

https://www.degruyter.com/document/doi/10.1515/pac-2021-1004/pdf

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