AI-Powered Drug Discovery CRO

Toxicology. Drug Discovery. Genomics.
Trusted by Pharma Teams. Forensically Verified.

End-to-end computational drug discovery — toxicology, molecular docking, and genomics — cross-validated across 3+ independent engines at r > 0.99. Backed by 22+ peer-reviewed papers and 4 oral presentations at AAAI & NeurIPS. Per-project. 2–3 weeks.

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1 Submit compound

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2 Free assessment in 48h

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3 Full report in 2–3 weeks

Research presented alongside

Google DeepMind Harvard Medical School Genentech / Roche AbbVie Stanford

22+ Peer-Reviewed Bio Papers

AAAI ICLR NeurIPS Stanford

aaai26_oral_presentation.jpg ORAL · AAAI-26

AIXC research presented at AAAI-26 Singapore - Leading authority in AI-powered genomics

Live from the world's top AI venues

AAAI-26 · Singapore · Oral Presentation

David Scott Lewis

Former META EVP · AI Since the 1990s · 22+ Bio Papers

ORAL

Binding affinity matrix — AIXC platform output

binding_affinity_matrix.json

Our platform: 3D Docking for Labs

GROMACS molecular dynamics platform — production output

AIXC MD Platform · Live Customer

Our platform: Toxicology for Labs

Trusted by Active Labs

Our Customers

Leading research labs and biotech companies use AIXC for drug discovery, validation, and regulatory-ready predictions.

World Pathol

R&D-based holding company expert on biotechnology since 2010. Make high tech patent-based solutions for animal and human beings — vaccines, recombinant active ingredients, and medical devices. Partner with AIXC for advanced biotech innovations.

R&D Biotech Innovation Drug Solutions

PlusVitech

Biotechnology company developing effective and safe therapeutic treatments for Cancer. Uses AIXC for drug target identification, compound optimization, and preclinical validation to accelerate time-to-clinic.

Cancer Research Therapeutics Drug Development

CONFIDENTIAL

Confidential Bio Lab

Leading independent biotech lab specializing in novel drug discovery and early-stage development. Partners with AIXC to accelerate hit-to-lead optimization, validate novel targets, and predict ADMET properties before synthesis. Confidential partnership for competitive advantage in preclinical research.

Drug Discovery Hit-to-Lead Preclinical

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× NVIDIA Inception

May 2026 · News

AIXC Bio Joins NVIDIA Inception Program

We are proud to announce that AIXC Bio has been accepted into the NVIDIA Inception Program, NVIDIA's premier program for AI startups revolutionizing industries with accelerated computing.

This milestone gives our platform access to NVIDIA's GPU infrastructure, technical training, and go-to-market support — directly benefiting every drug discovery project we deliver for pharma and CRO partners.

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GPU-Accelerated MD
CUDA GROMACS for binding validation

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Proteome-Scale Prediction
ESMFold & Boltz-2 on NVIDIA GPUs

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Million-Compound Screening
Virtual screening at unprecedented scale

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Faster Turnaround
Shorter delivery on all projects

37+ modules · 50+ papers · 2 paying customers Partner With Us →

FLAGSHIP SERVICE

Computational Toxicology
& Safety Assessment

Full nonclinical pharmacology & toxicology dossier powered by AI. Three integrated engines assess toxicity, allergenicity, and mutation impact — delivering regulatory-ready reports in weeks.

ADMET-AI, ProTox-3.0, Tox21 NR/SR panel, hERG, AMES, DILI

FoldX stability & ESM-2 variant effect prediction

ICH S1B, S2, S7A, S9 framework alignment

Three-layer forensic verification (cross-platform r>0.99)

View Details Sample Reports

Target Identification

Receptor mapping & binding site analysis

Toxicity Screening

ADMET, hERG, AMES & DILI panels

Lead Optimization

De novo design & docking refinement

Safety Report

ICH-aligned, forensically verified

md_trajectory_1ns.xtc ▶ PLAYING

Cellular therapy and molecular biology visualization

toxicology_report_v4.2.pdf

VERIFIED

Endpoint	Prediction	Score	Verdict
hERG Inhibition	Non-blocker	0.92	SAFE
AMES Mutagenicity	Non-mutagen	0.97	SAFE
DILI Risk	Low risk	0.89	SAFE
CYP3A4 Inhibition	Moderate	0.54	MONITOR
Skin Sensitization	Non-sensitizer	0.91	SAFE
BBB Penetration	Moderate	0.62	MONITOR

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 FoldX stability, ESM-2 variant effects, hotspot map

REGULATORY ALIGNMENT

ICH Guideline Coverage

Our reports map directly to ICH guidelines for IND submissions.

VIEW ICH FRAMEWORK ALIGNMENT MATRIX

ICH Framework Alignment Matrix

Guideline	Scope	Our Coverage	Status
ICH S2(R2)	Genotoxicity testing	AMES, chromosomal aberration, micronucleus prediction	FULL
ICH S1B	Carcinogenicity testing (weight-of-evidence)	ProTox-3.0 carcinogenicity	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

2–3 wk

Turnaround

vs. 3–6 months for large CROs

Per-project

Pricing

vs. $10K+/year subscriptions

3+ engines

Per endpoint

vs. single tool per endpoint

📊 Competitive Positioning — View Comparison

Feature Comparison

Compared to standalone QSAR tools or traditional CROs, AIXC delivers broader coverage, faster turnaround, and forensic verification that ensures reproducible, trustworthy results.

Capability	Standalone QSAR Tools	AIXC Bio	Large CROs
Multi-model consensus	Single tool per endpoint	3+ tools per endpoint	1-2 tools typically
Turnaround time	Minutes (raw data only)	Fast turnaround (full report)	3-6 months
ICH alignment	Not mapped	Full 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	Full VEP + ADMET-AI	SNP impact analysis

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$2,500

Standard compound

$8,000

Complex biologic

2–3 wk

Turnaround

Free

Initial assessment

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Toxicology. Drug Discovery. Genomics.Trusted by Pharma Teams. Forensically Verified.