The overall goal of this project was to develop a prototype for a web-accessible online editable database for atmospheric and combustion chemistry consistent with existing workflow/formats used by national evaluation panels. The chemical informatics and IT tasks were to modernize legacy implementations, while maintaining and codifying well-established workflows that meet the scientific and technical needs of experts. Many of the databases are legacy print databases produced by IUPAC, NASA/JPL, and other committees and provided in journal articles and reports. One goal is to move toward a dynamic, regularly updated evaluated electronic database, rather than the multistep manual process that exists now. In our presentation, we will provide an overview of the needs and requirements and present a Scientific and Technical Data and Information Unified Modeling Language (SDTI-UML) schema that we have developed which provides a framework for efficient collection, rapid dissemination, identification and indexing, and facile discovery of data and information. The UML developed extends down from root Libraries containing wrapped objects Folders or Documents which contain different classes of Content and Primitive Content (documents, blobs, tables, etc) each tagged with descriptive metadata for indexing and relational associations. The UML includes the ability to included chemical information and bibliographic information with each object.

Unified modeling language schema for scientific and technical data and information

248th National Meeting (2014)

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