Bioactivity descriptors for uncharacterized chemical compounds
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DOI: 10.1038/s41467-021-24150-4
Abstract: Chemical descriptors encode the physicochemical and structural properties of small molecules, and they are at the core of chemoinformatics. The broad release of bioactivity data has prompted enriched representations of compounds, reaching beyond chemical structures… read more here.
Keywords: bioactivity; chemical compounds; bioactivity descriptors; chemical ... See more keywords