Flagship Module

Predictive Toxicology.
Regulatory-Ready.
Forensically Verified.

Reduce late-stage attrition with AI-powered safety assessment — ICH-aligned, NAMs-ready, delivered in weeks not months. Three integrated engines assess toxicity, allergenicity, and mutation impact.

Get a Free Toxicology Assessment Download Sample Report

THREE INTEGRATED ENGINES

Comprehensive Safety Assessment

Each engine targets a distinct safety dimension. Together, they deliver a complete nonclinical pharmacology and toxicology dossier ready for IND submission.

Toxicity Engine

Multi-model ADMET profiling with regulatory-grade confidence. Covers all major safety endpoints for ICH compliance. Consensus predictions from 3+ independent tools per endpoint.

ADMET-AIADMETlab 3.0ProTox-3.0Tox21 NR/SRhERGAMESDILI

Allergenicity Engine

Complete immunogenicity assessment covering both T-cell and B-cell epitope prediction. Validated against DPRA (OECD TG 442C) and clinical sensitization data.

MHCFlurryBepiPred-2.0DPRAAllerCatPro

Mutation Engine

Predict the stability impact of every possible point mutation. Combines physics-based thermodynamic calculationsphysics-based FoldX thermodynamic calculations with deep learning variant effect predictionsESM-2 deep learning variant effect predictions.

FoldX ddGESM-2 VEPStability Map

DELIVERABLE

8-Section Toxicology Report

Every report follows a standardized structure designed for regulatory submission. ICH-aligned, with forensic verification and cross-platform concordance analysis built in.

Reports are delivered as PDF with machine-readable JSON data appendix. Average turnaround: 2-3 weeks for standard compounds, 4-6 weeks for complex biologics.

toxicology_report_v4.2.pdf VERIFIED

Executive SummaryRisk classification, key findings, go/no-go recommendation

Target ScoringBinding affinity, selectivity, druggability index

ICH Framework AlignmentM7, S1B, S2, S7A, M3, S9 compliance mapping

Toxicity PanelADMET, hERG, AMES, DILI, Tox21 NR/SR endpoints

Allergenicity AssessmentT-cell/B-cell epitopes, DPRA, sensitization risk

Mutation AnalysisStability predictions, variant effects, hotspot mapFoldX stability, ESM-2 variant effects, hotspot map

Cross-Platform ConcordanceMulti-tool agreement analysis, r > 0.99

Forensic VerificationThree-layer validation, provenance tracking

REGULATORY ALIGNMENT

ICH Guideline Coverage

Our computational toxicology reports map directly to ICH guidelines, providing the evidence framework regulators expect for IND submissions.

ICH Framework Alignment Matrix

Guideline	Scope	Our Coverage	Status
ICH M7	Assessment of DNA-reactive (mutagenic) impurities	AMES prediction, structural alerts, QSAR consensus	FULL
ICH S1B	Carcinogenicity testing (weight-of-evidence)	Multi-model carcinogenicity panelTox21 NR/SR panel, ProTox-3.0 carcinogenicity	FULL
ICH S2	Genotoxicity testing	AMES, chromosomal aberration, micronucleus prediction	FULL
ICH S7A	Safety pharmacology (cardiac, CNS, respiratory)	hERG blockade, BBB penetration, respiratory endpoints	FULL
ICH M3	Nonclinical safety for clinical trials	Complete ADMET profile, organ toxicity panel	FULL
ICH S9	Nonclinical evaluation for anticancer pharma	Oncology-specific endpoints, therapeutic index	PARTIAL

WHY AIXC

Competitive Positioning

Compared to standalone QSAR tools or traditional CROs, AIXC delivers broader coverage, faster turnaround, and forensic verification that eliminates hallucination risk.

Feature Comparison

Capability	Standalone QSAR Tools	AIXC BioSciences	Large CROs
Multi-model consensus	Single tool per endpoint	3+ tools per endpoint	1-2 tools typically
Turnaround time	Minutes (raw data only)	2-3 weeks (full report)	3-6 months
ICH alignment	Not mapped	Full M7/S1B/S2/S7A/M3	Full (wet lab validated)
Forensic verification	None	Three-layer, r > 0.99	GLP audit trail
Report format	CSV / raw data	PDF + JSON (IND-ready)	Full regulatory dossier
Allergenicity coverage	Rarely included	T-cell + B-cell + DPRA	Separate immunogenicity study
Mutation impact	Not available	Physics + ML integratedFoldX + ESM-2 integrated	Separate stability study
Cost	Free - $500/run	$2,500 - $8,000	$50,000 - $500,000+

PRODUCTION CASE STUDIES

Validated in Production

Real client engagements demonstrating the end-to-end toxicology pipeline across different compound classes.

Case Study 01

SP55 Antimicrobial Peptide

Client: WorldPathol — Veterinary Therapeutics

Full toxicology assessment of a novel antimicrobial peptide targeting canine pyoderma. Included ADMET profiling, allergenicity screening (T-cell and B-cell epitopes), and comprehensive mutation stability analysis across all 19 possible substitutions at each position.

0.92

Safety Score

285

Mutations Analyzed

3 wk

Turnaround

Case Study 02

Aprepitant NK1 Antagonist

Client: PlusViTech — Oncology Support

Comprehensive safety re-evaluation of aprepitant (NK1 receptor antagonist) for a novel oncology indication. Cross-referenced ADMET predictions against known clinical safety data to validate pipeline accuracy. Achieved 94% concordance with published pharmacovigilance data.

94%

Concordance

Endpoints Tested

2 wk

Turnaround

GET STARTED

Ready to De-Risk Your Pipeline?

Submit your compound or target for a free preliminary toxicology assessment. Our team will provide an initial safety overview within 48 hours.