Why researchers choose ToxScreen
Boltz-2 structural scoring
3D structure-based prediction — not QSPR fingerprints. Better coverage on novel scaffolds your lead series hasn't explored before.
PDF-ready audit-trail reports
Every prediction includes methodology, calibration AUC, confidence intervals, and a research-use disclaimer — citable and shareable.
Your structures stay private
Encrypted at rest. Scoring runs on our private GPU — no third-party AI provider sees your SMILES. Deletable on request.
Trusted by computational chemists and DMPK researchers for early-stage hit-to-lead screening.