Biomedical information mining is increasingly recognized as a promising technique to identify novel drug candidates. Here, Uppsala University developed a KNIME workflow to identify existing drugs which could be effective for COVID-19 treatment. While working with the small molecule data, several challenges were faced - such as an abstract chemical representation and the heterogeneity of the data in the public domain. The application programming interface and the integration of cheminformatics libraries and external software in KNIME Analytics Platform enabled them to tackle the problems in a clear, efficient, and reproducible way. It’s worth pointing out that some of the identified hits have been found to currently undergo clinical trials.
Alzbeta Tuerkova talks about the important role KNIME plays in the domain of drug repurposing, which is a pragmatic strategy for rapidly advancing drug development and reduces costs, time, and risks.
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