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SDFEater: A Parser for Chemoinformatics Formats

preprint
revised on 25.09.2018 and posted on 25.09.2018 by Łukasz Szeremeta
The use of computers to store and process different types of data is growing every day. The same applies to chemical data. SDF and Open Babel are recognized solutions in this field. However, each solution has its drawbacks, which are revealed in specific applications. It is important to be able to easily convert the collected data from one format to another. For this reason, we present SDFEater – a parser that allows to move data written in SDF to other formats including OpenCypher. This query language allows to import data on chemical compounds and store them in a graph database using our named property graphs model.

History

Email Address of Submitting Author

l.szeremeta@uwb.edu.pl

Institution

University of Bialystok

Country

Poland

ORCID For Submitting Author

0000-0002-6635-0623

Declaration of Conflict of Interest

no conflict of interest

Licence

Exports