Article

Integration of diverse bioactivity data into the Chemical Checker compound universe

2024-12-07

Abstract excerpt

Chemical signatures encode the physicochemical and structural properties of small molecules into numerical descriptors, forming the basis for chemical comparisons and search algorithms. The increasing availability of bioactivity data has improved compound representations to include biological effects, although bioactivity descriptors are often limited to a few well-documented molecules. To address this issue, we i...

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Literature Corpus work: a3c06f81-4d08-5bb1-a382-696192f2786d
DOI: 10.1101/2024.12.04.626832

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