Similarity Search
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Last updated
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UniChem is an InChI-based search function that will let you find entries for structures similar to your query structure.
It is a similarity search using 256 bit Morgan fingerprints and radius=2.
Fingerprints are created from the Standard InChI using Tanimoto as a metric.
The search requires either an InChI string or a molecule structure, and a % threshold at which to cut off results.
It will return all chemical structures below that threshold from UniChem. Clicking on a structure will show hits for that compound within UniChem sources.
