Structure to synthesis.
One unified reaction.
Molecular Design
Structure to property in seconds
Instant SMILES/SDF parsing. Automated ADMET scoring. Rule-of-five compliance checks built-in.
Retrosynthesis
Viable paths to production
AI-generated synthesis routes with cost overlays. Shared drug-discovery module. Lab notebook linking.
Model Ownership
Fine-tuned on your chemistry
Weekly ChemBERTa fine-tuning on your assay data. Regression Bank enforcement. Full dataset and weight handoff.
Lab-verified speed.
Measured in reactions.
The AuraOne
advantage.
Speed
Status quo
Scripts & spreadsheets
With AuraOne
Instant SMILES parsing & ADMET
Planning
Status quo
Manual retrosynthesis search
With AuraOne
AI-generated routes with cost
IP Control
Status quo
Shared vendor models
With AuraOne
Private ChemBERTa tuned on your data
Formulas secured.
IP protected.
Molecule Privacy
Structure data encrypted. Never used for other tenants.
Signed Handoff
Encrypted S3 URLs for model and dataset delivery.
Full Provenance
Audit trails linking assay results to model updates.
"I score new solvent candidates in AuraOne so that our lab only synthesizes molecules with strong safety and manufacturability signals."
Trusted by innovative chemistry teams