Drug Discovery AI

Find the Right Molecule. Faster Than Biology Allows.

Zabrizon's AI drug discovery platform combines generative chemistry, predictive ADMET modelling, and multimodal biological data analysis to compress early drug development timelines and improve candidate quality.

40%
Reduction in target-to-candidate timelines
10×
More candidates screened per cycle
65%
Improvement in ADMET prediction accuracy
3yrs
Potential savings off preclinical timeline
AI Capabilities

Drug Discovery AI Capabilities

Generative chemistry, predictive biology, and multimodal data science — purpose-built for pharmaceutical R&D.

Generative Molecular Design

Deep learning models generate novel drug-like molecules with optimised properties — beyond what traditional medicinal chemistry libraries contain.

  • Graph neural network and transformer-based molecule generation
  • Multi-parameter optimisation: potency, selectivity, and ADMET
  • De novo scaffold design for novel IP space
  • Synthesisability scoring and synthetic route prediction
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Target Identification & Validation

AI analysis of genomics, proteomics, and disease biology datasets to identify and prioritise novel therapeutic targets with high disease relevance and tractability.

  • Multi-omics data integration: genomics, transcriptomics, proteomics
  • Disease pathway analysis and target druggability scoring
  • Phenotypic screening data pattern recognition
  • Competitive intelligence on target class and modality landscape
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ADMET & Toxicity Prediction

Computational prediction of absorption, distribution, metabolism, excretion, and toxicity properties — enabling early elimination of liabilities before expensive wet-lab testing.

  • In silico ADMET prediction: solubility, permeability, CYP, hERG
  • Organ toxicity prediction models trained on clinical data
  • Structural alert identification and SAR analysis
  • Regulatory-grade toxicity report generation for IND submissions
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Virtual Screening & Hit Identification

Structure-based and ligand-based virtual screening of billions of commercially available and synthesised compounds — identifying hits 100× faster than physical HTS.

  • Ultra-large virtual library screening (billions of compounds)
  • Docking and pharmacophore-based hit identification
  • Activity cliff and SAR landscape mapping
  • Experimental data integration for model retraining
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AI-Accelerated Drug Discovery Pipeline

AI compresses every stage from disease hypothesis to IND-ready candidate.

1

Target ID

AI multi-omics analysis to identify and rank novel therapeutic targets

2

Hit Discovery

Virtual screening of billions of compounds for target binding

3

Lead Optimisation

Generative AI design and ADMET prediction to refine candidates

4

Preclinical

Toxicity prediction and in silico modelling to reduce animal testing

5

IND Filing

Automated regulatory package assembly for FDA IND submission

Data Standards & Computational Framework

Built on open scientific standards and validated computational methods.

FAIR Data Principles
Findable, Accessible, Interoperable, Reusable research data
ICH S1–S7 Toxicology
Regulatory preclinical safety study guidelines
OECD QSAR Guidelines
Computational toxicology model validation standards
OpenTox Framework
Open standards for toxicological data and model sharing
RDKit / ChEMBL
Open-source cheminformatics and bioactivity database standards
FDA SEND Standards
Standard for Exchange of Nonclinical Data for submissions

Ready to Bring AI Into Your Drug Discovery Pipeline?

See how Zabrizon's computational chemistry and ML platform can identify better candidates faster.