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biosim m2m · Project

AI and Quantum-Powered Drug Crystal Prediction to Accelerate Pharmaceutical R&D

healthTestedTRL 5

Imagine trying to find the perfect way to stack LEGO bricks so they don't fall apart; in medicine, molecules do this too, and the wrong stack can make a drug unsafe. Instead of spending years guessing through trial and error in a lab, this technology uses super-smart computers to predict the perfect stack instantly. It's like having a GPS for chemistry that tells scientists exactly where to look.

By the numbers
3 weeks
Reduced CSP cycle time (from 3 months)
40
Required experiments (reduced from 400)
2 years
Potential time added to market by old methods
80%
Percentage of R&D pipeline made up of small/emerging biotechs
The business problem

What needed solving

Pharmaceutical companies face massive financial risks and regulatory delays because drug molecules can form different crystal structures (polymorphs), which affect safety and efficacy. Current lab-based testing is slow, expensive, and has a success rate of less than 1%.

The solution

What was built

A cloud-based predictive technology combining AI and Quantum physics to determine the most stable crystal structures of drug compounds.

Audience

Who needs this

Pharmaceutical R&D departmentsSmall and emerging biotech companiesMaterial scientists in drug formulationContract Research Organizations (CROs)
Business applications

Who can put this to work

Pharmaceuticals
enterprise
Target: Large Pharma Enterprise

If you are a large pharma enterprise dealing with costly product recalls or regulatory delays due to polymorphism — this project developed a predictive CSP technology that reduces the time to find stable crystal structures from 3 months to 3 weeks.

Biotechnology
SME
Target: Emerging Biotech Startup

If you are an emerging biotech startup dealing with limited lab resources and a need for fast R&D — this project developed a cloud-based solution that reduces candidate experiments from 400 to 40.

Drug Development Services
mid-size
Target: Contract Research Organization (CRO)

If you are a CRO dealing with long and painstaking experimentation cycles for clients — this project developed a quantum-AI tool that boosts success rates for determining the most stable polymorph of a drug compound.

Frequently asked

Quick answers

How does this affect the cost of drug development?

It reduces wasted scarce resources by cutting the number of required polymorph screening experiments from 400 down to 40.

Can this be scaled for many users?

Yes, the technology is designed to be scalable as a cloud-based solution, making it accessible to both large companies and small biotechs.

What is the IP status of this technology?

The invention is protected under patent EP3948877A1.

How does this impact the time-to-market for new medicines?

By reducing the CSP cycle from 3 months to 3 weeks, it addresses a process that can otherwise add 2 years or more to the time it takes to bring a medicine to market.

How is the technology integrated into existing workflows?

Based on available project data, it acts as a predictive guide for lab scientists, telling them where to focus experimentation for a right-first-time result.

Consortium

Who built it

The project is led by a single Irish SME, Biosimulytics Limited. With a 100% industry ratio and no university or research partners, the project is lean and focused entirely on commercial application and rapid deployment of its patented technology.

How to reach the team

Contact Biosimulytics Limited in Ireland

Next steps

Talk to the team behind this work.

Contact us to explore licensing opportunities for this quantum-AI drug prediction tool.

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