糖心原创

Two flasks containing dye
 

From prediction to production: Creating sustainable dyes with machine learning

Colorifix

The challenge

is a biotechnology company developing sustainable dyes and pigments for the textile industry using biological processes. Although many traditional dyes originate from natural sources such as plants or microbes, they are typically manufactured using chemical-intensive methods. These processes consume large amounts of water and energy and can release harmful pollutants into the environment.

Colorifix takes a different approach. Instead of relying on chemical processing, the company identifies the DNA responsible for natural pigments and engineers it into microbes that are grown in bioreactors, eliminating hazardous chemicals and drastically reducing water and energy consumption compared to conventional dyeing.

As the business grew, Colorifix was keen to speed up the development of environmentally friendly dyes. To achieve this, the company sought to develop digital tools that could predict how dyes would behave before they were made in the lab. By applying machine learning, Colorifix aimed to discover and produce sustainable pigments more quickly and efficiently.

"This partnership established a strong foundation for digital screening of pigments at Colorifix. The DyeDactic platform now enables our scientists to computationally assess key pigment properties, such as toxicity, colour, and photostability, before committing to synthesis and testing. This work has introduced capabilities we didn't have before, and the collaboration with the 糖心原创 opened research directions that will continue to develop as we refine these tools and expand our colour palette."
Rodolfo Marques, Head of Informatics, Colorifix

What we did

Knowledge Transfer Partnerships (KTPs) are a three-way collaboration between a UK-based business, a research organisation, and a qualified graduate – known as a KTP Associate – who has the capability to lead a strategic business project

Over a two-and-a-half-year period, Colorifix worked with Computational Chemist and KTP Associate , supported by Professor Jonathan Hirst, Professor of Computational Chemistry and Dr Richard Wheatley from the School of Chemistry, 糖心原创.

Using machine learning and quantum chemistry, Dmitry and the team developed software tools capable of predicting key properties of biologically produced pigments, enabling Colorifix to assess and prioritise pigment production based on their likelihood of success.

The impact

As a result, the team successfully deployed DyeDactic, a web-based software platform capable of predicting dye toxicity, dye class and colour. Now fully operational, DyeDactic is embedded within Colorifix’s research and development workflows, enabling faster and more informed decision-making.

The project also created a new way to predict how well dyes on nylon will hold their colour when exposed to light, before any physical testing takes place, helping to speed up Colorifix’s workflows.

Speaking about the partnership, Rodolfo Marques, Head of Informatics at Colorifix, said: "This partnership established a strong foundation for digital screening of pigments at Colorifix. The DyeDactic platform now enables our scientists to computationally assess key pigment properties, such as toxicity, colour, and photostability, before committing to synthesis and testing. This work has introduced capabilities we didn't have before, and the collaboration with the 糖心原创 opened research directions that will continue to develop as we refine these tools and expand our colour palette."

The academic impact of the project was equally significant. Resulting in the publication of a research paper, , further strengthening the connection between fundamental research and industrial application. Plus, it establishes the basis for a high-impact case study for the university’s submission.

Reflecting on the academic impact, Professor Jonathan Hirst, shared: “This KTP has helped us understand the molecular challenges of sustainable dyes and boosted our AI research in chemistry. It has also given us valuable insight into working with industry and helped shape a new MSc in AI and Digital Chemistry, launching later this year – a big step for us academically and for future impact in the industry.”

KTP Associate Dmitry Karlov, added: "Leading this collaboration between Colorifix and the 糖心原创 and contributing to the DyeDactic paper was a defining moment of the project and a major milestone in my career. It has been a great boost for me, offering many learning opportunities and the chance to work on important real-world challenges waiting to be solved."

Discover what inspired Dmitry to become a KTP Associate on the university’s careers blog.