ADMET predictions inside your
SciSure workspace
Connect Toxometris to SciSure and trigger regulatory-grade ADMET predictions automatically as you register compounds — keeping experimental and in silico data in one place.
No more manual export and import
Teams using SciSure (former eLabNext) alongside a prediction tool typically maintain two separate systems — manually exporting SMILES, running predictions, and copying results back. This creates friction, delays, and version control problems.
The Toxometris–SciSure integration eliminates this gap. Compounds registered in SciSure trigger automatic ADMET predictions, and results — including QMRF documentation — are written directly back to the compound record. SciSure 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 SciSure workflow.
Native integration
Connect Toxometris directly to your SciSure workspace. Compounds registered in SciSure flow automatically to Toxometris for prediction, and results are written back to the compound record without manual intervention.
Automated ADMET prediction
Trigger Toxometris predictions from within SciSure experiment workflows. As compounds are added to your SciSure database, in silico ADMET profiles are computed and attached to the record automatically.
Unified compound records
All in silico ADMET data — predictions, Risk Score, and QMRF documentation — are stored alongside your experimental data in SciSure. One source of truth for your compound portfolio.
Report-ready output
OECD-compliant prediction reports and QMRF documentation are attached directly to SciSure compound records, ready for export and inclusion in regulatory dossiers.
How the integration works
Four steps from compound registration to regulatory-ready output.
Install Toxometris add-on
Install Toxometris add-on from the SciSure Marketplace.
Register compound in SciSure
Add your compound (SMILES or structure) to a SciSure samples or compound library as you normally would.
Select the compound(s) for prediction
Seamlessly transfer the selected compounds to the Toxometris portal and submit for predictions.
Results returned to SciSure
All selected ADMET endpoint predictions are returned and attached directly to the SciSure compound record.
Ready to connect SciSure?
Contact us to discuss your SciSure setup and we'll get the integration running for your team.