For practical reasons, chemists often need to perform literature searches for compounds with categorically defined variable substituents, all the while there is the need to be able to perform said searches over publicly available databases. With this need identified, the objective of this project was to produce a brief educational series, detailing the steps and applications involved in performing conformable structure searches in PubChem, in addition to other applicable databases while contrasting the advantages and disadvantages of the various databases. Furthermore, this series was intentionally produced by an undergraduate-level student so as to explore the undergraduate-level knowledge on existing cheminformatic resources. For instance, through the production of this series, we found that the typical undergraduate student lacks the awareness that such searches can be conducted.

Performing variable substituent chemical structure searches

251st National Meeting (2016)

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