Artificial Intelligence (AI) and machine learning approaches are being developed and applied in the efficient identification of next-generation medicines. Such AI-informed decision-making has the potential to deliver significant savings by minimising the number of compounds that need to be made within drug discovery programmes. Datasets shared by GSK are being used to develop machine learning models that deliver a self-contained idea generation and prediction search algorithm. This algorithm has generated the first round of novel compounds which are currently being synthesised by the team to enable biological evaluation.
Experiment-tracking software incorporating green chemistry principles is also being developed, with the goal that chemical methods employed in all four themes are as efficient and sustainable as possible.
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(PDRA, UoN)