2018 IEEE 14th International Conference on e-Science (e-Science)
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Abstract

This presentation describes a novel combination of text mining and quantitative structure-property relationships (QSPR) of small molecules, where text-mined ChEBI entries were retrieved by combining Europe PMC RESTful APIs in scientific workflows and matched with QSPR predictions from machine learning. Described applications include metabolomics data integration, experimental design, historical studies and business intelligence.

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