Standardise records
Capture structures and associated identifiers in a consistent workflow that supports individual and bulk loading.
A dependable foundation for chemical data
Registration is where scientific data quality begins. Adroit gives teams a searchable system of record without isolating chemistry from the biological evidence around it.
Find duplicates and relationships
Use exact, substructure and similarity searches with options for strict or flexible stereochemistry matching.
Keep context intact
Move from a registered compound to linked synthesis reactions, targets and assay results without spreadsheet reconciliation.
Capabilities for chemistry teams
- SDF and MOL import and export
- Exact structure matching
- Substructure searching
- Tanimoto similarity searching
- R/S and E/Z stereochemistry
- Tautomer-aware matching
- Reaction links using RXN and RDF
- Programmatic access through APIs
Designed for real discovery relationships. A compound is not only a drawing. Its value comes from its provenance, reactions, targets, batches and experimental results. Adroit keeps those relationships queryable.
How Adroit fits
| Requirement | Adroit approach |
|---|---|
| Existing compound files | Bulk-load common chemistry formats and preserve source information during migration. |
| Very large libraries | RDKit cartridge indexing and server-side pagination are designed for collections above 10 million molecules. |
| Sensitive intellectual property | Deploy on premises, in the cloud or as a hybrid environment. |
| Biology and assay context | Connect registered compounds to protein targets and assay results through the shared schema. |
Compound registration FAQ
Can Adroit replace an existing compound registry?
It can be evaluated as a replacement or as part of a staged migration. The appropriate approach depends on identifiers, duplicate rules, chemistry conventions and integrations in the existing environment.
Does Adroit support reactions as well as compounds?
Yes. RXN and RDF reaction records can be stored and linked to molecules in the same data platform.
Can it be deployed behind our firewall?
Yes. On-premises and air-gapped deployment are supported for organisations that need compound intellectual property to remain within their own infrastructure.