Learning Chemistry: Exploring the Suitability of Machine Learning for the Task of Structure-based Chemical Ontology Classification

Published in Journal of Cheminformatics, 2021

Recommended citation: Janna Hastings, Martin Glauer, Adel Memariani, Fabian Neuhaus, Till Mossakowski, "Learning Chemistry: Exploring the Suitability of Machine Learning for the Task of Structure-based Chemical Ontology Classification." Journal of Cheminformatics, 2021. https://doi.org/10.1186/s13321-021-00500-8

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