Abstract: Controlled extraction studies aim to obtain extensive analytical data for drug containers and medical devices, and therefore recognize compounds and materials that may generate safety and performance concerns. It is, however, a challenge to sift and interpret data to find extractable signals from different instruments, especially when using a variety of hyphenated chromatography–mass spectrometry analyses. Therefore informatics technologies and software automation of workflows are becoming key strategic considerations for identification, elucidation, and characterization of extractables and leachables (E&L).Summary: This work describes how an informatics platform embodying unified laboratory intelligence (ULI) can be applied to managing, analyzing, and interpreting GC, LC, and other analytical data; then using it to create and search a knowledgebase of identified compounds.
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