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AI solutions for toxicology evaluation and chemical safety assessment

Neuraltox AI provides accurate and explainable computational methods for predicting the mutagenic potential of impurities, intermediates, and by-products that may reside in the final drug product after chemical synthesis or degradation. Our software solutions allow pharmaceutical companies to comply with CMC/ICH M7 regulations by using both statistical and rule-based methodology for mutagenicity prediction.

Instant results

Accurate predictions

Accessible anywhere


What We Offer

Neuraltox AI offers statistical-based and rule-based models for mutagenicity evaluation. This complementary methodology supports both ICH M7 workflows as well as early-stage drug screening.

Cost & Time Effective

Our computational methods can reduce the time and money you spend on laboratory testing

Wide Chemical Coverage

Our algorithms will return a
valid prediction for any
organic compound

Regulatory Support

Our rule-based and statistical
models follows the OECD validation principles and is fully ICH M7 compliant. 

Explainable Predictions

Positive predictions are
explained by expert comments
with supporting references.


Consulting Services

In silico genotoxicity prediction

All of our (Q)SAR models are available as a consulting service on a per compound basis.

Expert reviews for mutagenic compounds

A scientific expert assessment that provides supporting evidence to justify in silico predictions and resolve conflicting results. The expert review is a key step in the ICH M7 prediction workflow.

Large scale drug screening

Large-scale compound screening for genotoxic potential to optimize safety in the development of pharmaceuticals and cosmetics ingredients

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