Free tools are built for
exploration, not submissions.
ADMETlab, SwissADME, and pkCSM are excellent research tools — we have used them ourselves. But when your results need to support a regulatory submission, exploratory tools are not enough. Toxometris is designed specifically for that gap.
OECD Compliance
Free tools explicitly disclaim regulatory use in their own documentation.
OECD Principle 3 ('defined endpoint') and Principle 4 require that models are validated and documented to a specific standard. ADMETlab's own documentation states results are 'for research use only.' Regulators at ECHA and EMA require OECD-compliant predictions — that determines whether your submission is accepted.
QMRF Documentation
No free tool provides QMRF documentation for regulatory dossiers.
Every Toxometris assay comes with a QSAR Model Reporting Format (QMRF) document — required by ECHA for chemical safety assessments and accepted by EMA for regulatory dossiers. QMRF documentation is not optional for regulatory submissions in Europe. We provide it for every single assay — downloadable, auditable, ready to attach to your dossier.
Data Confidentiality
Pharmaceutical companies cannot legally submit novel compounds to public servers.
Submitting your pipeline compound SMILES to a public free tool creates legal and IP risk your legal team will not accept. You risk prior art issues and potential IP leakage. Toxometris offers NDA agreements and enterprise data handling for proprietary compound screening. For organisations with the strictest confidentiality requirements, we can deploy an isolated on-premises installation — your compounds never leave your infrastructure.
Independently Validated Accuracy
Competition wins are a different class of validation — blind, external, and unbiased.
Anyone can claim their model is accurate. Tox24 and EUOS25 are blind prediction competitions — we didn't know the test compounds in advance, and our results were evaluated by independent scientific bodies. Toxometris placed 2nd in Tox24 and ranked among the group winners in EUOS25 — models whose scores were statistically indistinguishable from the winning submission, as confirmed by the independent organising committee. That is external validation no self-reported benchmark can match.
Continuously Updated Models
Free tools are static. Toxometris models improve as science advances.
The algorithms and training datasets behind every Toxometris endpoint are regularly updated as new experimental data becomes available, regulatory guidance evolves, and model architectures improve. This means your predictions always reflect the current state of the science — not a snapshot from the tool's last release. Subscribers automatically benefit from every update, with no action required.
Risk Score for Library Screening
Free tools return individual endpoint values. Toxometris ranks entire libraries.
When you're screening hundreds of compounds, individual endpoint values from free tools leave all the synthesis work to you. The Toxometris Risk Score collapses your entire ADMET profile into a single composite ranking — so you can identify your top candidates in minutes, without reviewing every endpoint for every molecule.
Side by side
Toxometris vs. free ADMET tools — the features that matter for regulatory use.
| Feature | ADMETlab / SwissADME | Toxometris |
|---|---|---|
OECD-compliant predictions Research use only disclaimer | ||
QMRF documentation Required by ECHA | ||
Regulatory submission ready | ||
Data confidentiality / NDA Enterprise | ||
Independently validated accuracy Tox24 2nd, EUOS25 Group Winner | — | |
Risk Score library ranking | ||
Expert report preparation +$200/compound | ||
Cost | Free | $150/compound (all 50+ endpoints) |
Try 2 compounds free — no credit card required.
See the difference regulatory-grade predictions make.