Kuano AI

A network of expertise and dedication

Artificial intelligence company, Kuano AI, wanted to upgrade their existing software stack. The aim was to utilise innovative machine learning models for charge prediction. 

The team selected Newcastle University for this knowledge transfer partnership (KTP). They wanted to tap into a network of expertise and dedication via Newcastle Innovations. 

This partnership led to the successful development of a generic drug discovery platform. It also helped fuel further innovation. This resulted in an efficient drug development tool that other companies within the sector can now utilise.

We caught up with three key players in this KTP: 

• Danny Cole, Computational Chemist at Newcastle University, serving as the Academic Supervisor and co-leading the project
• Charlie Adams, the KTP Associate coordinating the project between Newcastle University and Kuano
• David Wright, CTO at Kuano and project co-lead

Project success

The KTP achieved success beyond the original goal fulfilment. This opened up new areas of computational innovation for both Kuano and Newcastle University.  

David: ‘This KTP was productive, exhaustive and innovative. Working closely with Charlie allowed us to develop the building blocks required to unlock new capabilities. 

‘The concept of not just using a straightforward charge model, but also looking more closely at a quantum level was important for this KTP. We were able to create a tool that gives professionals the ability to explore a new chemical space without having to spend a lot of money, time and effort. This tool allows us to create genuine innovation within an inspiring environment. 

‘The varying areas of interest across both the Kuano and Newcastle University teams allowed us to approach the project from a range of different perspectives. It was really interesting to discuss and evaluate the different angles in which we could move forward. 

‘We coupled our industry knowledge with Newcastle University’s academic drive to execute research. This meant we could ground our development method in both the industrial impact and needs of the end user. We were able to nurture that all-important link between academic curiosity and real-world impact.’

A collaborative approach

Newcastle University and Kuano worked together to meet cutting-edge demand with an innovative approach. They completed the KTP by delivering a useful tool that other experts can utilise. They also produced an academic paper to further support the software. 

Danny: ‘We have an exceptionally strong KTP team working alongside our brilliant advisor. He was clear with us about the kind of feedback he expected from the project. The added benefits to everyone were clearly defined to give us obvious goals and aims.

‘We also had fortnightly meetings with wider collaborator, the Open Force Field Initiative. This ensured alignment with state-of-the-art AI models and datasets. There was also further academic-industry integration to advance computational drug design.’

David: ‘Our two teams were great at working towards goals together. Everyone showcased a brilliant willingness to work and ability to put resources into action. It was particularly exciting to gain access to Newcastle University’s supercomputers and world-renowned project understanding. A benefit that we wouldn’t otherwise have had.

Charlie: ‘I was able to engage with a project management course to further boost my skills in this area, It ensured positive, collaborative communication throughout. 

‘Using the skills I learned throughout my time on the course, I was able to engage with all stakeholders. This ensured that challenges could be overcome with compromises that were beneficial for everyone involved, as well as the project as a whole.’

Why Newcastle Innovations?

With a pre-existing professional relationship between David and Danny, Newcastle University became the knowledge transfer partner of choice for Kuano. 

David: ‘Having worked with Danny previously, I knew he sat at a nexus of interesting areas. I also knew he had a full and prior understanding of what we would need to make this project a success.

‘The links between Newcastle University’s academic knowledge and rigour married up really well with our placement within the industry and our desire to unlock further innovation. 

‘On a more practical level, we needed a cost-effective solution. I knew Newcastle University would be really well-situated to assist with. It was also great to work with dedicated professionals who were genuinely excited by the challenge we were proposing. I knew we would receive this passion in abundance from the Newcastle University team.’ 

Danny: ‘We knew our team was perfectly placed to assist Kuano in their mission. We had our history of work in the computational drug design sphere, as well as our access to supercomputers.

‘We were able to offer Kuano the opportunity to join us as industry partners on a project. They could access the most powerful public supercomputer, currently hosted at the University of Bristol.’*

An ‘outstanding’ project

When reviewed after completion, this project was rated as ‘outstanding’ by Innovate UK.  It went beyond the original brief of developing ‘improved predictions of chemical properties for computational drug design using AI’. It also created a tool that enhances efficiency and remains highly cost-effective.

Charlie: ‘The expertise of the two different teams married really well together. This serves as testament to Kuano’s great structure and the fact that the whole team is on board with the project and gathering requirements. 

‘It’s great to see other computational chemists and medicinal scientists getting value out of the tool we have created. Presenting it to professionals and witnessing the excitement in the room was really special. 

‘This KTP genuinely changed the direction of my professional career. I never thought that I would be able to pursue computational chemistry as a job. Being involved in this project really helped unlock even broader horizons for me in terms of my professional future.’ 

Danny: ‘A definite highlight for me was presenting our tool at the Autumn UKQSAR Meeting, held at the AstraZeneca Discovery Centre. Professionals immediately asked me about timelines for utilisation. I was able to point them in the direction of Charlie’s academic paper and the open software package that we released in collaboration with Open Force Field and they were good to go.’ 

Creating opportunities in the sector and beyond

David: ‘We didn’t just stick with the base level, we went beyond and adapted the project as it went along. Working together, we were able to build a useful tool and provide a direction for a new product, all within 18 months. 

‘It was fantastic to see the academic paper published and feel that everything was coming together. Looking back at this project, I feel a real sense of satisfaction at what we have created together. It has created opportunities for work within our sector and beyond. 

‘I am glad to still have continuing professional relationships with the whole Newcastle University team, as well as Josh Horton. He is another Academic Supervisor on this KTP who provided valuable insights and expert knowledge. 

‘Partnering with Newcastle Innovations not only allowed us to succeed with this particular project, but also build contracting relationships for the future. Links with the local area fostered through this KTP have led to a relationship with both Cancer Research UK and the NU Cancer Centre that will go on to have long-term impact.’ 

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*The authors acknowledge the use of resources provided by the Isambard-AI National AI Research Resource (AIRR). Isambard-AI is operated by the University of Bristol and is funded by the UK Government’s Department for Science, Innovation and Technology (DSIT) via UK Research and Innovation; and the Science and Technology Facilities Council [ST/AIRR/I-A-I/1023].