This presentation will discuss our initial efforts with sharing chemical structure data from The University of Alabama theses and dissertations. We are working with chemistry graduate students and faculty to create machine-readable chemical structure data files (SDFs) alongside submitted theses and dissertations. These SDFs contain the key synthesized substances from the thesis or dissertation and include the associated chemical connection tables, local identifiers, names, SMILES, and InChI line notations. The generated machine-readable SDFs are then shared on our Institutional Repository alongside the original thesis/dissertation, and more broadly on PubChem, allowing for greater management, discoverability, and reuse of the chemical structure data. We will discuss our initial workflows for generating and sharing the SDFs, as well as considerations, challenges, and opportunities for the future. <br/>

Sharing chemical structures from university theses and dissertations on Institutional Repositories and PubChem

255th National Meeting (2018)

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