Autonomous Molecular Discovery
ModelMole is the natural evolution in AI drug discovery.
By pairing physics-based rigor with swarm intelligence to find candidates that pure machine learning models never see.
We take the highest precautions in protecting the IP of our clients, as well as our own, therefore, what we shown here is only information vetted for disclosure.
We are inventors as much as we are a platform, and we keep pushing our orchestration further into chemical space no one has mapped and extending it at the same time into a Deep Candidate Intelligence.
Want a preview of where we're heading, including molecule IP tracking, Repurposing agents and how we utilise existing clinical trials?
Get in touch, we're happy to walk you through it.
We are on a journey of innovation in drug discovery
Working with ModelMole:
One suite, from first candidate to the clinic.
ModelMole is compensated per project, with other models available where they suit how you work.
Clients can use the full suite end to end, from the first de novo discovery through optimisation and IND, and into later stages or just parts of it to improve their own tools. Either way, ModelMole carries its own data forward at every step to keep the project moving.
Real End-to-end discovery!
02 Repurposing agent
A new agent built to find new value in drugs that already exist and are approved for use in humans, giving a faster path from a compound to a new indication, and a new medicine. It weighs each candidate-indication pairs against reimbursement and market-access reality — payer precedent, coverage pathways, and unmet need — so a repurposing lead isn't just scientifically plausible, but "biologically sound and commercially viable to bring to market”.
03 Deep candidate intelligence
Our agents are learning to look far downstream: from designing and designing molecules to anticipating how a candidate performs in a formulation as well as how best to administer it, either oral, subcutaneous, intravenous or topical.
Our agents are drawing on:
Clinical trial landscape, and screening for safety earlier and more rigorously.
Legal and IP landscape and checking for protectability while looking for new drugs.
04 Partner matching
Using its own agentic AI, ModelMole can identify the CROs, CDMOs, scientists, and other partners best suited to help you succeed—matched to the specific candidate and stage, not a generic directory search.
05 A dedicated IP track
We are developing a high through-put patent screening and patent filing tools that interact with your data, in order to design or repurpose in an area you can protect.
Pre-fill patent applications and integrate access to real lawyers who you can rapidly onboard into your projects.
01 De novo design
We're extending our orchestration engine even further into unexplored chemical space - designing candidates in the dark chemical spaces that have not yet been explored. The ModelMole engine that has changed everything.
The Next Evolution in Drug Discovery
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
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, tied to specific vendors, infrastructure or licensing restrictions and come with loose data security.
Your Data, Your Property, Your Control
we offer true isolation. Client data remains strictly proprietary and will be hosted exclusively on gated servers in Switzerland under stringent privacy protections. We are architecturally separated from big AI companies—your compounds, results, and insights are never ingested into public or third-party training sets. Secure by design, sovereign by default.
Most AI systems can only interpolate within their training data. By integrating high-accuracy physics-based methods with state-of-the-art AI, ModelMole can look further from the known chemical space, and check what it finds against physics rather than against past examples.
- 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
Active Learning
Automatic improvement loop. Higher accuracy with every problem.
Continuous Growth
Stronger with each iteration. A compounding competitive advantage.
Proven Track Record
Years of improvement. A continuously evolving system.
| Capability | Bought separately | With ModelMole |
|---|---|---|
|
Computational chemistry & AI design
Physics-based methods fused with chemical learning agents
|
Computational chemistry CRO or in-house modelling team, plus AI vendor licences
|
Core
Novel, patentable candidates checked against physics, not just past data
|
|
Biomolecular pathway modelling
Target biology, mechanism and off-target effects
|
Systems-biology consultancy or academic collaboration
|
Included
Pathway context feeds directly into candidate scoring
|
|
ADMET
Absorption, distribution, metabolism, excretion, toxicity
|
ADMET prediction software plus early in-vitro panels at a CRO
|
Included
Liabilities flagged during design, so they are fixed before synthesis
|
|
IP & legal
Patent scanning, prior art, freedom to operate
|
Patent attorney and search firm
|
Included
Every candidate scanned against the patent landscape as it is generated
|
|
Literature research
Open-source monitoring of the latest publications and preprints
|
Analyst time, database subscriptions, manual literature reviews
|
Included
New findings pulled into the project as they are published
|
|
Formulation & administration
Route of administration, dosage form, excipients, stability
|
Formulation CRO or CDMO development programme
|
Included
Formulation options modelled alongside the molecule, not after it
|
|
Document preparation
IND packages, patent filings, technical reports
|
Regulatory-affairs consultancy and medical writers
|
Included
Drafted from the project's own data, so nothing is re-keyed or lost
|
|
Grant funding discovery
Automatic matching to open calls and deadlines
|
Grants consultant or funding-database subscription
|
Included
Calls matched to the project's indication, stage and evidence
|
|
CRO connections
Assays, synthesis and in-vivo work, briefed from the project
|
Sourcing, vetting and briefing each CRO yourself
|
Included
Briefs go out from the platform and results come back into it
|
|
Project success estimates
A live probability of success, updated by every module
|
Due-diligence or portfolio-strategy consultancy, delivered as a static report
|
Included
Recomputed whenever chemistry, safety, IP or funding changes
|
|
Total
|
10 vendors10 contracts10
data formats0 shared context
|
1 platform1 dataset1
project view
|
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
Please get in contact for any reference!
Publications and Research
Acknowledgments
