SLAS

January 23-27, 2016

San Diego Convention Center, San Diego, CA, USA

Meet ACD/Labs Staff

Graham A. McGibbon, ACD/Labs

Graham McGibbon, Manager, Scientific Solutions

Presentation Schedule

Tackling Analytical Knowledge Transfer Obstacles in Externalized Environments
Tuesday, Jan. 26th, 11:00–11:30 AM

Primary Presenter(s): Graham McGibbon - Manager of Scientific Solutions and Strategic Partnerships, ACD/Labs
Co-Author(s): Hans De Bie - Director of Informatics Solutions and Services, ACD/Labs

Track: Informatics
Session: Data Wrangling, 10:30 AM–12:30 PM

Abstract: Across most chemical R&D industries today the trend towards outsourcing of both core and non-core scientific activities is growing dramatically. Current industry estimates suggest that >40% [1] of Pharmaceutical and Biotech R&D spending is now done beyond company boundaries and some of the largest employers of synthetic chemists are working for Contract Research Organizations (CRO) in China (Wuxi and ChemPartner). [2] As externalization and research virtualization continues to evolve into more specific and core business critical specific tasks for library synthesis, assay development services, process chemistry, core manufacturing, etc. the challenges surrounding data sharing and collaboration will need to be addressed. Today, the process of data sharing between a Sponsor Company and their respective CROs is not an optimized one. It involves sharing of data on demand via email or collaboration solutions like Microsoft Sharepoint. The most common media formats shared are in the form of excel spreadsheets or PDF files which limits their ability to be leveraged in a scientifically meaningful way in the future. This presentation will use analytical data sharing as a use case model to suggest a better way to share data and collaborate on an efficient level that ensures data is effectively managed in a way that enables scientific data mining for the purpose of identifying raw materials, impurities, metabolites, etc. It will highlight a new laboratory informatics externalization model that highlights: . A collaborative workspace to create an analytical knowledge package that can include 'live' analytical data, metadata, and chemistry information independent of the instrument source for seamless knowledge sharing. . The value and importance of fingertip access to this 'live' information and knowledge that can be searched, shared, re-processed, re-purposed, and re-analyzed. . A system that is easily accessed via web or mobile client interfaces and is amenable to integration and cloud-based deployments. In addition, this presentation will offer a view on emerging informatics strategies, integration and platforms with an emphasis on the applicability of technologies in the Unified Laboratory Intelligence (ULI) category for chemistry R&D sub-disciplines that feature a substantial variety and volume of analytical data in their workflows.

[1] M.E. Elliot, The De-Evolution of Informatics, Scientific Computing, October 2012
[2] D. Lowe, The Biggest Chemistry Employers- Guess, In the Pipeline. http://pipeline.corante.com/archives/2014/05/22/the_biggest_chemistry_employers_guess.php