Autonomous Molecular Discovery

ModelMole is the natural evolution in AI drug discovery.

The Next Evolution
in Drug Discovery

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Most AI systems are limited by their training data; they can only extrapolate from what they have seen.

ModelMole is Different.

By integrating high-accuracy physics-based methods with state-of-the-art AI, we can look further from the known chemical space. This allows ModelMole to "look into the dark" where datasets are sparse, identifying highly novel, effective, and patentable solutions that pure machine learning models miss.

We call it Intelligent multi-model orchestration

The Intelligent Orchestration

A detailed illustration of a molecular structure showing green helices and strands, purple spheres representing a small molecule or ligand, and a surrounding semi-transparent shape indicating the molecular surface.

Our proprietary Swarm AI system doesn't rely on a single model. It utilises a network of multiple AI systems that cross-reference predictions to identify confidence levels.

ModelMole’s automatic active learning loop ensures high accuracy and creates a formidable competitive moat that grows stronger with every problem it solves, rapidly improving the system over time and with every new problem.

The ModelMole Platform

Most drug discovery platforms are either narrow point solutions or complex systems tied to specific vendors or infrastructure.

ModelMole is fully autonomous and infrastructure-agnostic—designed to run anywhere from enterprise clusters to a single workstation. ModelMole has a unique way of following up the user to achieve an optimal result of a drug discovery platform.

Screenshot of a digital dashboard for ModelMole showing statistics about pipelines, molecules, proteins, docking runs, weekly activity, top docking hits, recent runs, and pipeline status.

Autonomous Swarm Intelligence

Fully customisable

High-accuracy physics-based methods

Intelligent multi-model orchestration

Autonomous end-to-end process

Full project support available

Start using ModelMole today!

Beyond Extrapolation: Illuminating the Dark
Physics-Based AI Integration
Traditional AI
ModelMole

By integrating high-accuracy physics-based methods with state-of-the-art AI, ModelMole can look further from the known chemical space.

"Look into the dark"

where datasets are sparse



→ Identifying highly novel, effective, and patentable solutions

Autonomous Swarm Intelligence
  • Multiple AI systems cross-reference predictions to identify confidence levels
  • Automatic gap-filling using computational chemistry
  • Automatic active learning loop
  • Grows stronger with every problem solved

The Competitive Moat

Active Learning

Automatic improvement loop
High accuracy with every problem

Continuous Growth

Stronger with each iteration
Compounding competitive advantage

Proven Track Record

Years of improvement
Continuously evolving system

End-to-End Discovery

⚗️ Drug Design
🗜️ Delivery
🧪 Formulation
📐 Stability & Optimization

Our Work

The ModelMole platform rapidly assesses biological systems and predicts promising candidates that might be missed by traditional approaches, opening doors to innovative biotech and pharmaceutical breakthroughs.

Our platform is continuously used by our clients to develop and optimise new proprietary and collaborative drugs candidates.

Discovery Pipeline

Candidates across discovery, development and approval

Discovery Pipeline
Human Medicine
Project Therapeutic Area Species Discovery Lead Opt. In Vitro Preclinical Phase 1 Phase 2 Phase 3 Approval
Targeted radiotherapy Oncology Human
Preclinical
Collagen repair Cosmetics Human
Preclinical
Antimicrobial Peptides Antibiotic Human
In Vitro
Antimicrobial Peptide-Drug Conjugates Antibiotic Human
Discovery
Transcription Regulator Oncology Human
Discovery

Animal Medicine
Project Therapeutic Area Species Discovery Lead Opt. In Vitro In Vivo Field Trials Vet Approval
Sea lice vaccine Antiparasitic Salmon
In Vivo
Antimicrobial Peptides Antibiotic Salmon
Discovery

Publications and Research

Acknowledgments

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