ACS Spring

March 13-17, 2016

San Diego Convention Center, San Diego, CA, USA

Meet ACD/Labs Staff

Patrick Wheeler, ACD/Labs

Patrick Wheeler, NMR Product Manager

Presentation Schedule

Analytical data, the web, and standards for unified laboratory informatics databases
Graham McGibbon, Patrick Wheeler (ACD/Labs)

Wednesday, March 16th, 8:20 AM–8:45 AM
Session CINF: Chemistry, Data & the Semantic Web: An Important Triple to Advance Science

Abstract: For knowledge management solutions to be widely embraced by the chemical community there must be standards for handling not just chemical structures but also analytical data and metadata. This includes dealing with different data sources, types and formats. More importantly platforms must support this from experiment inception through data acquisition and interpretation then eventually to presentation including appropriate storage and querying capabilities. Technology integration also gains importance considering the modern laboratory informatics environment and increasing externalization.

We present here how our organization has applied 20 years of experience in chemistry and informatics to developed technologies that unify data from distinct formats and types, and use common exchange protocols and compatibility with web based presentation layers. At the heart of this is chemical nomenclature, molecular structure, spectral and chromatographic information, and databases that store, relate and allow access to these elements and their associated relationships. Further, we illustrate such a technology, namely a platform for live data and unified laboratory intelligence, and how is utilized. We will also look toward future application of this knowledge management representation.