The Cronin Group

Research in the Digital Chemistry 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.


Latest News

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November 2024: Chemputer Advances: Parallelizing Chiral Synthesis with Reaction Blueprints

Researchers in the Digital Chemistry Group at the University of Glasgow have advanced chemical automation by enhancing the chemical description language χDL. Through the integration of new features into the χDL—such as reaction blueprints, logical control flow, and iteration—the team has enabled parallelized and reproducible workflows for complex chiral syntheses on the Chemputer platform. This is exemplified by the automated production of Hayashi-Jørgensen catalysts and enantioenriched products, achieving yields up to 97% with exceptional stereoselectivity. These developments highlight the …

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October 2024: Chemistry Meets AI: Automating Literature Validation with Chemputation and LLMs

Researchers from the Digital Chemistry Group have demonstrated how large language models (LLMs) coupled with Chemputers can play a pivotal role in digitalizing chemistry and validating published procedures. They have developed an architecture that leverages LLMs to autonomously extract procedures from the literature and translate them into executable instruction code in a universal chemical language, XDL. These translated procedures were automatically corrected and validated through simulated execution, ensuring accurate translation. The system handles multilingual and ambiguous data, …

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September 2024: University of Glasgow Researchers Awarded Crucible Grant for Biochemistry Automation

Dr. Dean Thomas of the Cronin Group and Dr. Jessica Perochon of the Cordero Group have received a prestigious Crucible Award from the University of Glasgow. The award supports their collaboration on developing novel methods to automate complex, multi-step procedures in biochemistry.


The Glasgow Crucible is a development programme that fosters interdisciplinary research leadership. It offers expert guidance and funding to researchers, encouraging them to build collaborative projects that align with the university’s research culture, strategic priorities and future technical milestones.

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August 2024: Unlocking the Potential of Chemputation: Achieving Universality in Chemical Synthesis

Chemputation refers to the automation of chemical synthesis by translating chemical pathways into executable instructions that run on a programmable device known as a “chemputer.” But can a chemputer, using a chemical programming language, potentially synthesize any molecule that is theoretically possible?

In a new paper published on arXiv, Prof. Cronin explores this idea by defining what it means for a chemputer to achieve an analogue of Turing completeness, demonstrating its universality in chemical synthesis. He also outlines the requirements for dynamic error correction during …

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July 2024: Cronin Group Welcomes ASU Emergence Lab Assembly Theorists for Collaborative Symposium

The Digital Chemistry group recently hosted distinguished guests from Arizona State University’s Emergence Lab, led by Professor Sara Walker, for a symposium focused on advancing Assembly Theory. Over the course of the week-long visit, both groups engaged in in-depth discussions and collaborative development of new ideas and applications in Assembly Theory. In addition to the productive academic sessions, the visit also featured social activities, fostering stronger ties between the two teams. We eagerly anticipate future collaborations and the next visit from our ASU colleagues.

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June 2024: Machine Learning Revolutionizes Host-Guest Chemistry with High-Accuracy Molecular Design

A new study from the Cronin Group has introduced a cutting-edge machine learning model that significantly advances the design of host-guest binders. Trained on electron density data, the model has achieved over 98% accuracy in converting molecular structures into SMILES format, allowing comprehensive two-dimensional characterization. Utilizing a variational autoencoder, the model generates detailed 3D electron density and electrostatic potential representations, optimizing guest molecules via gradient descent. Successfully applied to cucurbit[n]uril and metal–organic cages, the model …

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May 2024: AI and Chemputation Drive Discovery of Organic Laser Emitters in Global Collaboration published in Science

Researchers from a global collaboration, including the Digital Chemistry group at the University of Glasgow, have developed a ground-breaking decentralized workflow for discovering organic laser emitters, leveraging AI, chemputation, and the programming language for chemistry, XDL. This innovative approach integrates experimental infrastructures across multiple locations using a central cloud hub for data transfer, AI-guided experiment design, and logistics management. Chemputation automates the chemical synthesis processes, ensuring precision and repeatability, while XDL facilitates the …

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April 2024: A New Approach to Measuring Molecular Complexity using IR, NMS and MS

Researchers from the Digital Chemistry group at the University of Glasgow have developed a new approach to investigate and quantify molecular complexity using assembly theory and spectroscopy. ​ By analysing the number of absorbances in infrared (IR) spectra, carbon resonances in nuclear magnetic resonance (NMR), or molecular fragments in tandem mass spectrometry (MS/MS), the researchers estimated the molecular assembly index (MA) of an unknown molecules. ​ The study also demonstrated the use of 13C diffusion-ordered spectroscopy (DOSY) to analyse mixtures of compounds and determine the MA of …

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March 2024: Daniel Hervitz wins runner up prize in RSC poster competition

Congratulations to Daniel Hervitz for winning the runner up prize in the annual RSC online poster conference, in the #RSCDigital category. The poster, entitled “Digital robotics for discovery, synthesis, and reaction monitoring of CuO/Au bimetallic nanohybrid”, describes Daniel and his collaborator’s work in using a chemical synthesis robotic platform for the exploration and optimisation of composite nanomaterials.

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February 2024: Digital Chemistry breakthrough with two landmark papers on Chemputer-based Optimisation and Inert atmosphere manipulations

The Schlenkputer, published in Nature Chemical Engineering , is a fully automated system for conducting highly reactive chemical reactions in an inert atmosphere. The system combines a programmable Schlenk line for inertization of glassware with a liquid handling backbone, allowing for the synthesis and manipulation of air and moisture-sensitive compounds. ​ The researchers demonstrated the system’s capabilities by synthesizing four highly reactive compounds, including a colorimetric indicator and a hygroscopic Lewis acid. ​ The Schlenkputer provides a safe and efficient platform for …

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January 2024: Cronin Group Researchers Tackle Reproducibility and Standardisation in Collaborative Synthesis Using a Universal Programming Language

In a new publication featured in Nature Synthesis, Cronin Group researchers have unveiled a pioneering approach to collaborative synthesis projects, emphasizing the critical role of repeatability and standardization in scientific research.

In the paper, titled “Universal Chemical Programming Language for Robotic Synthesis Repeatability,” researchers showcase the advantages of the recently introduced universal programming language, χDL to encode and execute synthesis, illustrating how standardized synthesis protocols can seamlessly traverse different robotic platforms, laboratories, …

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December 2023: Lee Cronin Features on Lex Fridman Podcast

Lee Cronin has featured in episode 404 of the widely acclaimed Lex Fridman podcast. In a conversation spanning over 3 hours, Cronin and Fridman delved into recent work on Assembly Theory, exploring its profound connection to the evolution of life on Earth, before moving on to other topics such as Cellular Automata, Artificial General Intelligence and Nuclear Weapons.

The full podcast can be viewed on YouTube.

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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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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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499. Evidence of Selection in Mineral Mediated Polymerization Reactions Executed in a Robotic Chemputer System

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498. A programmable hybrid digital chemical information processor based on the Belousov-Zhabotinsky reaction

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497. An integrated self-optimizing programmable chemical synthesis and reaction engine

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496. Autonomous execution of highly reactive chemical transformations in the Schlenkputer

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495. Universal chemical programming language for robotic synthesis repeatability

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494. Bringing digital synthesis to Mars

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493. An Autonomous Electrochemical Discovery Robot that Utilises Probabilistic Algorithms: Probing the Redox Behaviour of Inorganic Materials

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