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QSAR-based genotoxicity prediction without animal testing — faster, more economical, and scientifically robust with full regulatory justification.
Explore serviceE&L · Impurities
QSAR Analysis
Quantitative structure–activity modelling for impurities, extractables and leachables.
Overview
What is QSAR Analysis?
QSAR (quantitative structure–activity relationship) models predict a compound’s biological activity from its chemical structure. They are a cornerstone of modern impurity and E&L assessment.
Following ICH M7, we run complementary expert rule-based and statistical QSAR methodologies, check each prediction against the model’s applicability domain, and resolve conflicts through expert review.
This lets you classify impurities, set acceptable limits and avoid unnecessary testing, all with documentation that stands up to regulatory scrutiny.
2Complementary methodologies
M7ICH-aligned classification
↓Testing cost
When you need it
Typical triggers for this service
- Classifying impurities and degradants for mutagenic potential
- Evaluating E&L compounds without experimental data
- Supporting toxicological risk assessments
- Responding to regulator questions on impurities
- Screening new materials or formulations
What you receive
Deliverables
01Expert rule-based QSAR predictions
02Statistical QSAR predictions
03Applicability domain assessment
04Expert review and conflict resolution
05ICH M7 class assignment
06Summary report with recommendations
Our approach
How we run the engagement
01
Compound list
Confirmation of structures and SMILES for every compound.
02
Dual-model QSAR
Expert rule-based and statistical models run for each structure.
03
Domain check
Confirmation that each compound sits within the model’s applicability domain.
04
Expert review
Resolution of positive, equivocal and out-of-domain results.
05
Classification
ICH M7 classification and control recommendations.
Standards & guidance
Aligned with
ICH M7OECD QSAR validation principlesISO 10993-17:2023ISO 10993-18
FAQs
QSAR Analysis: common questions
ICH M7 recommends one expert rule-based and one statistical methodology because they are complementary. Agreement between them gives greater confidence; disagreement is resolved by expert review.
It is the chemical space a model was built on. Predictions for compounds outside it are less reliable, so we check every compound and flag those needing further assessment.
Yes. It is widely used to assess extractables and leachables identified during chemical characterisation under ISO 10993-18.
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