Exact match
Locate the registered record for a specific chemical structure and review its linked scientific context.
Search by chemical meaning, not only text
Names and identifiers are useful, but they cannot answer scaffold and structural-similarity questions. Adroit makes chemical structure a first-class search object.
Substructure
Draw or submit a query structure to find molecules containing the selected scaffold or functional pattern.
Similarity
Use Tanimoto fingerprint similarity to explore related chemical space and prioritise relevant records.
Built for practical cheminformatics
- Ketcher structure editor
- Exact structure matching
- Substructure search
- Tanimoto similarity ranking
- R/S stereochemistry
- E/Z stereochemistry
- Tautomer matching options
- Search across 10M+ molecule collections
Search results keep their context. Scientists can move from a structure result to linked targets, assay data and reactions instead of exporting identifiers into separate systems.
Structure search FAQ
Can users choose whether stereochemistry matters?
Yes. Searches can use strict stereochemistry or ignore it, depending on the scientific question.
Which engine powers structure indexing?
Adroit uses the RDKit PostgreSQL cartridge for chemical indexing and search.
Can structure searching work in an on-premises deployment?
Yes. The chemistry functionality is available when Adroit is deployed behind an organisation's firewall as well as in cloud deployments.