Chemists have at their disposal a wealth of software applications which can effectively describe experiment material utilization, procedure descriptions, observational commentaries, and result summaries—all consistent with FAIR practices.<br/><br/>Traditional approaches to aggregating detailed summaries of synthetic chemistry experiments, however, requires the abstraction of reaction-characterizing analytical data. Rich analytical datasets are reduced to tabular numerical data fields and static graphical depictions.<br/><br/>This presentation will describe efforts to use newer digital data processing, interpretation, and storage functionalities which simultaneously allow for automated result analysis, while preserving full-fidelity datasets, in accordance with FAIR principles and practices. Select examples of HT synthesis experiments, coupled to automated analysis of chromatographic and spectral characterization, will be presented.

Associating live analytical data to synthetic chemistry experiments: Applying FAIR principles across the scientific experimentation lifecycle

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.