LONDON: DeepMatter Group has collaborated with AstraZeneca to use innovative digital technologies with the aim of improving the productivity and reproducibility of compound synthesis.

DeepMatter’s long term strategy is to integrate chemistry with technology, thereby enabling a greater use of artificial intelligence and reaching a point where chemicals can be autonomously synthesised through robotics

Scientists from the two organisations will work together to improve the productivity of synthesising single compounds and compound libraries based on unique, structured data harvested from the DigitalGlassware technology.

The conditions of a reaction, such as temperature, solvent and catalysts, are important to the success of any experiment. DigitalGlassware allows users to capture and analyse a rich array of information about their chemical reaction.

A unique multi-sensor probe sits inside the reaction vessel, providing real-time data (temperature, pressure, UV light levels and more) while an environmental sensor records ambient conditions. Data from external laboratory hardware can also be recorded through software application programming interfaces (APIs).

These structured data are collected and stored in the cloud alongside each process carried out during the reaction, contextualising the actions of the user in the lab. Displayed in real time, the data can be interrogated using multiple views, enabling the analysis of reaction runs and the re-playing of syntheses. By capturing in-situ chemical data alongside the experimental intent, observations and outcomes, it is expected that machine learning and AI algorithms could yield cost and time savings whilst also providing novel insights into chemistry.

Michael Kossenjans, Associate Director, Discovery Sciences, R&D, AstraZeneca, said: “Our goal is to transform drug design using innovative digital technologies in combination with automation and AI. To get potential new medicines to patients faster, we need to reduce the cycle time for lead identification and optimisation and look forward to working with DeepMatter to assess the potential of DigitalGlassware to help with this.”

Mark Warne, CEO of DeepMatter, said: “We’ve been impressed with the automated chemistry platforms developed at AstraZeneca sites for autonomous delivery of new lead series. We see an opportunity to draw together knowledge from the DigitalGlassware platform to enable machine learning and AI technologies to increase the certainty of producing a high quality and choice of candidate drug molecules.

“We look forward to progressing this exciting collaboration over the coming months as we continue to maximise the potential of the DigitalGlassware platform.”

Edited by Nayyar Iqbal