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Learning chemistry: exploring the suitability of machine learning for the task of structure-based chemical ontology classification

Chemical data is increasingly openly available in databases such as PubChem, which contains approximately 110 million compound entries as of February 2021. With the availability of data at such scale, the burden has shifted to organisation, analysis and interpretation. Chemical ontologies provide st...

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Detalles Bibliográficos
Autores principales:	Hastings, Janna, Glauer, Martin, Memariani, Adel, Neuhaus, Fabian, Mossakowski, Till
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2021
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7962259/ https://www.ncbi.nlm.nih.gov/pubmed/33726837 http://dx.doi.org/10.1186/s13321-021-00500-8

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