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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Free · No commitment · NDA available before any data exchange
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 - Oral presentation on AI-powered protein analysis
AAAI-26 Singapore │ Oral PresentationAI for Drug Discovery · Feb 2026
22+
Peer-Reviewed Bio Papers
4
Conference Oral Presentations
37+
Production Modules
ICH
Aligned Safety Reports
Live from the world's top AI venues
David Scott Lewis oral presentation AAAI-26 Singapore
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

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

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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Your Data is Protected
NDA before any data exchange EU company · GDPR compliant Compounds never reused or shared Encrypted submission · Secure delivery
AAAI-26 ICLR 2026 NeurIPS Stanford ELLIS IEEE IROS CIKM ISMB Google Scholar Top 3
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
GROMACS 2024.2 │ AMBER99SB-ILDN 1 ns trajectory │ Target Complex
Cellular therapy and molecular biology visualization
toxicology_report_v4.2.pdf
VERIFIED
EndpointPredictionScoreVerdict
hERG InhibitionNon-blocker0.92SAFE
AMES MutagenicityNon-mutagen0.97SAFE
DILI RiskLow risk0.89SAFE
CYP3A4 InhibitionModerate0.54MONITOR
Skin SensitizationNon-sensitizer0.91SAFE
BBB PenetrationModerate0.62MONITOR
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
GuidelineScopeOur CoverageStatus
ICH S2(R2)Genotoxicity testingAMES, chromosomal aberration, micronucleus predictionFULL
ICH S1BCarcinogenicity testing (weight-of-evidence)ProTox-3.0 carcinogenicityFULL
ICH S7ASafety pharmacology (cardiac, CNS, respiratory)hERG blockade, BBB penetration, respiratory endpointsFULL
ICH M3Nonclinical safety for clinical trialsComplete ADMET profile, organ toxicity panelFULL
ICH S9Nonclinical evaluation for anticancer pharmaOncology-specific endpoints, therapeutic indexPARTIAL
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.

CapabilityStandalone QSAR ToolsAIXC BioSciencesLarge CROs
Multi-model consensusSingle tool per endpoint3+ tools per endpoint1-2 tools typically
Turnaround timeMinutes (raw data only)Fast turnaround (full report)3-6 months
ICH alignmentNot mappedFull S1B/S2/S7A/M3Full (wet lab validated)
Forensic verificationNoneThree-layer, r > 0.99GLP audit trail
Report formatCSV / raw dataPDF + JSON (IND-ready)Full regulatory dossier
Allergenicity coverageRarely includedT-cell + B-cell + DPRASeparate immunogenicity study
Mutation impactNot availableFull VEP + ADMET-AISNP impact analysis
PLATFORM MODULES

37+ Modules. One Platform.

Order individually or as a complete IND-ready dossier. Every module peer-reviewed and production-deployed.

LIVE
Toxicology & Safety
ADMET-AI, ProTox-3.0, hERG, AMES, DILI. ICH-aligned reports.
ProTox-3.0
 LIVE
Molecular Docking
6 engines. AutoDock Vina, HADDOCK3, DiffDock. Consensus scoring.
6 Engines
 LIVE
Structure Prediction
IgFold + HADDOCK3. CDR restraints. 31/31 tests passing. scFv, Fab, Full IgG.
FoldX
 LIVE
Alzheimer's Reversal Initiative
AI research infrastructure for Alzheimer's drug discovery — pure science.
Open ScienceAlzheimer Research
 LIVE
All Services
View the complete platform: reporting, dashboards, batch processing, API.
Full PlatformAPI
10-50x
Faster than traditional screening
r>0.99
Cross-platform concordance
2-4 wk
Typical delivery time
~$100M
Potential savings per drug

Ready to Accelerate Your Pipeline?

Get a free sample toxicology assessment for your compound. See the quality of our reports before you commit.

$2,500
Standard compound
$8,000
Complex biologic
2–3 wk
Turnaround
Free
Initial assessment
Request Free Assessment View Sample Reports