Tools

Practical calculators and interactive demos

Open-source, browser-based helpers for common regulatory calculations and walkthroughs.

Tools and calculators
PDE / OEL Calculator
PDE and occupational exposure limit derivation helper.
Nitrosamine AI Calculator
Support for nitrosamine risk assessment and scoring.
PBT & PMT Screening
Quick persistence, bioaccumulation and toxicity screening.
PBT Interactive Demo
Full interactive PBT walkthrough demo.
Free Toxicology Tools: PDE, Nitrosamine, PBT | NexGenTox
Calculators & quick screens

Working tools, not black boxes.

Browser-based calculators we use ourselves. Each shows the inputs, the assumptions, and the formula so you can audit the answer before you act on it.

Calculation tooling on screen
Tools live
4 in browser
Auditability
Every input, AF
and assumption shown
Frameworks
EMA · ICH · ECHA
REACH Annex XIII
Use
First-pass triage
not regulatory submission
01

PDE / OEL calculator

Permitted Daily Exposure and Occupational Exposure Limit derivation following EMA Q&A and ICH Q3C principles. Adjustment factors transparent and editable the file lands defensibly the first time.

EMA PDEICH Q3COEL 8h
Pharmaceutical impurity assessment
Sample output
NOAEL5 mg/kg/day
F1·F2·F3·F4·F55 · 10 · 5 · 1 · 1
Body weight50 kg
PDE→ 100 µg/day
OEL (8h)→ 12.5 µg/m³
Open calculator → Live
02

Nitrosamine AI calculator

Acceptable Intake derivation for nitrosamine impurities under the EMA NDSRI Q&A — (Q)SAR-aware, structure-specific, with read-across reasoning surfaced for the response letter.

EMA NDSRIICH M7(R2)CPCA
Nitrosamine impurity assessment — pharmaceuticals, chemistry, and read-across
Sample output
SubstanceNDSRI — tertiary amine
CPCA potencyClass 3 (intermediate)
AI→ 100 ng/day
ConfidenceRead-across (1 analogue)
Open calculator → Live
03

ED screening

- Coming Soon

Triage a substance against the OECD Conceptual Framework. In silico flags and authority-list signals across EATS modalities for early-stage portfolio review, not regulatory submission.

OECD CFEATS modalitiesECHA · EFSA lists
Endocrine disruptor screening — substance triage across EATS modalities
Sample output — EATS scan
Estrogeniclow
Androgenicnone
Thyroidmoderate
Steroidogen.low
Recommendation Targeted L2 study
Run a screen → Demo version
04

PBT & PMT screening

Persistence, bioaccumulation and toxicity criteria check against REACH Annex XIII and ECHA R.11 guidance with PMT/vPvM overlay per the 2023 CLP hazard classes. Each axis (P, B, T, M) carries its own evidence trail and colour-coded verdict.

Annex XIIIECHA R.11PBT / vPvBPMT / vPvM
Aerial view of water and shoreline — environmental fate, persistence and mobility
Sample output — four axes
P DT₅₀ water 120 d  ▲ vP
B BCF 2,400  △ B (not vB)
T NOEC 0.01 mg/L  ▲ T
M log Koc 1.8  ▲ M
Verdict: PBT· PMT — not vPvB / vPvM
Run assessment → Live
A note on use

These calculators are working tools not regulatory submissions.

They give you a defensible first answer in minutes, with all assumptions on the table. For dossier-grade work, every output should be reviewed and adapted by a qualified toxicologist with access to the full study record. We're happy to do that for you that's the day job.