BioAscent has collaborated with Medicines Discovery Catapult, a national facility connecting the UK community to accelerate innovative drug discovery, to harness the power of AI and machine learning to focus compound collections.
The collaboration aimed to enable biotechs and SMEs to purchase appropriate focused subsets from BioAscent’s Compound Cloud in order to reduce initial purchase costs and downstream screening expenses, and, ultimately, help reduce the cost of drug discovery while also making it faster and more efficient.
By harnessing the power of AI and machine learning, Medicines Discovery Catapult’s team applied deep learning methods to analyse millions of compound bioactivities in order to learn which features of a compound make it active towards different drug targets.
As part of a pilot project with BioAscent’s Compound Cloud, compounds which were likely to be active towards different drug classes, such as kinases and GPCRs, were labelled. The approach was validated by successfully predicting the compounds within Compound Cloud already known to be active and affect a drug target.
Commenting on the collaboration, Phil Jones, CSO of BioAscent, said: “It has been great to access the Artificial Intelligence expertise at MDC for this collaboration. The MDC team have taken an innovative approach to characterising the compounds in Compound Cloud which we believe adds value to the collection and will benefit BioAscent’s customers. From our perspective the collaboration was easy to establish and worked extremely well, and we look forward to working with MDC on further AI initiatives in the future.”
To find out more, you can read the case study on the collaboration here.