The Cronin Group

Research in the Cronin Group is motivated by the fascination for complex chemical systems, and the desire to construct complex functional molecular architectures that are not based on biologically derived building blocks.


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'Robo-Chemist', controlled by machine learning to explore chemical reactivity, discovers new reactions, molecules, and reactivity

In a paper just published in Nature, a new approach to exploring chemical space following reactivity is presented. By building a robot that is able to screen chemical reactions by combining the reagents together in a reactor and then screening them for reactivity using a combination of NMR, IR, and Mass Spec. The system needs to be trained by the expert chemist, but after that it is able to automatically assign reactivity using machine learning. From the reactivity searching, a range of new reactions and molecules were discovered.

Link to paper

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Prof. Leroy (Lee) Cronin

Prof Leroy (Lee) Cronin
Regius Chair of Chemistry
Advanced Research Centre (ARC)
Level 5, Digital Chemistry
University of Glasgow
11 Chapel Lane
Glasgow G11 6EW
Tel: +44 141 330 6650
Email: lee.cronin@glasgow.ac.uk

Latest Publications

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509. High-Nuclearity Polyoxometalate-Based Metal–Organic Frameworks for Photocatalytic Oxidative Cleavage of C−C Bond

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508. Operational considerations for approximating molecular assembly by Fourier transform mass spectrometry

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507. Reaction blueprints and logical control flow for parallelized chiral synthesis in the Chemputer

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506. Experimentally measured assemblyindices are required to determine the threshold for life

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505. Algorithm-driven robotic discovery of polyoxometalate-scaffolding metal–organic frameworks

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504. Reaction: Programmable chemputable click chemistry

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503. Rethinking pharma and biotech outsourcing: A call for data security and supply chain resilience

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502. Delocalized, asynchronous, closed-loop discovery of organic laser emitters

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501. Investigating and Quantifying Molecular Complexity Using Assembly Theory and Spectroscopy

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500. Electron density-based GPT for optimization and suggestion of host–guest binders


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