ADMET predictions inside
your electronic lab notebook
Connect Toxometris to eLabNext — the leading ELN for life sciences — and trigger regulatory-grade ADMET predictions automatically as you register compounds in your lab notebook.
No more manual export and import
Most teams using an ELN and a prediction tool maintain two separate systems — manually exporting SMILES, running predictions, and copying results back. This creates friction, delays, and version control problems.
The Toxometris–eLabNext integration eliminates this gap. Compounds registered in your ELN trigger automatic ADMET predictions, and results — including QMRF documentation — are written directly back to the compound record. Your ELN becomes the single source of truth for both experimental and in silico data.
Why integrate?
The integration changes how in silico predictions fit into your existing workflow.
Native integration
Connect Toxometris directly to your eLabNext electronic lab notebook. No manual CSV export/import — compounds flow automatically from your ELN to Toxometris and results flow back.
Automated ADMET prediction
Trigger Toxometris predictions directly from eLabNext experiment templates. As compounds are registered in your ELN, ADMET predictions are computed automatically and attached to the record.
Centralised compound records
All in silico ADMET data is stored alongside your experimental data in eLabNext. One source of truth for your compound portfolio — no more spreadsheet juggling.
Report-ready output
QMRF documentation and OECD-compliant prediction reports are automatically attached to eLabNext experiment records, ready to export for regulatory dossier preparation.
How the integration works
Four steps from compound registration to regulatory-ready output.
Register compound in eLabNext
Add your compound (SMILES or structure) to an eLabNext experiment or compound library as you normally would.
Automatic Toxometris trigger
The integration detects new or updated compound records and automatically submits them to the Toxometris prediction engine.
Results returned to ELN
All 50+ ADMET endpoint predictions, the Risk Score, and associated QMRF documentation are attached directly to the eLabNext compound record.
Export for regulatory use
Retrieve the full prediction package from eLabNext as a single regulatory-ready PDF — no manual assembly required.
What's included in the integration package
Ready to connect your ELN?
Contact us to discuss your eLabNext setup and we'll get the integration running for your team.