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ACS Fall

August 19-23, 2018
Boston Convention and Exhibition Center, Boston, MA, USA

Hall A

Presentation Schedule

Aug. 22nd, 10:10 AM–10:35 AM

Unifying, informatics-based approach to life cycle management of impurity data
Andrew Anderson, Graham A. McGibbon, Sanjivanjit K. Bhal, and Joe DiMartino
Division: Division of Agrochemicals
Session: Analytical Topics for Ag Process Chemistry & Formulations Research
Ballroom East—Theater 3

Abstract: The historic overlap between pharmaceutical and agrochemical sectors has led to the adoption of technologies, initially designed for pharma/biotech, in agrochemical R&D. Impurity analysis is an example of scientific endeavor that is common to both industries. While heavily regulated in pharmaceutical R&D for patient safety, the potential effects of impurities in agrochemicals—environmental pollution and health effects in animals and humans—make it a key step in the registration of new chemical entities.

Global regulatory authorities continue to push Quality-by-Design (QbD) in pharmaceutical development to support risk management. While it affords many important long-term benefits, these expectations are having a dramatic impact on product development groups and their supporting corporate informatics infrastructure. Informatics platform innovation—particularly to support reduction of data abstraction, data assembly, and human data preparation—is necessary to mitigate risk and facilitate regulatory adherence. Informatics software for impurity/contaminant control should optimally provide users with the ability to construct 'process maps' which allow for visual comparison of molecular composition across unit operations. The platform should also allow the user to visualize the wide variety of related spectroscopic and chromatographic data in a single environment for each stage and substance for efficient and informed decision-making.

This talk will provide an overview of a new software application (Luminata™) developed specifically to address these platform innovation needs.