Explore chemical series
Use exact, substructure and similarity searches to find relevant structures and related records.
From compound idea to experimental context
Adroit gives medicinal chemistry and multidisciplinary discovery teams one place to query the scientific relationships that are commonly split across registries, spreadsheets and assay systems.
Review synthesis context
Store RXN and RDF reaction records and connect them to molecules in the same data model.
Interpret activity
Associate assay measurements with the compound and biological target they evaluate.
What the workflow can include
- Compound registration
- Substructure and similarity search
- Stereochemistry-aware matching
- Reaction records
- Protein and target management
- IC50 and EC50 data
- Dose-response visualisation
- SAR analysis views
Built to complement how discovery teams work. Adroit can be configured around the data and systems already present rather than requiring every laboratory process to be replaced at once.
Medicinal chemistry FAQ
Does Adroit generate new molecules?
Adroit is presented here as a scientific data and informatics platform. Its role is to organise, search and connect chemistry and biology data; it should not be confused with a generative molecular-design system.
Can assay results be connected to both compounds and targets?
Yes. The shared data model is designed to link compounds with biological targets and the assay data that describes their relationship.
Can we deploy it on premises?
Yes. Cloud, on-premises and hybrid deployment options are available.