Publications by authors named "Samuel Boobier"

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Interactive Knowledge-Based Kernel PCA for Solvent Selection.
Samuel Boobier, Joseph Heeley, Thomas Gärtner, Jonathan D Hirst

ACS Sustain Chem Eng· March 2025

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Machine learning insights into predicting biogas separation in metal-organic frameworks.
Isabel Cooley, Samuel Boobier, Jonathan D Hirst, Elena Besley

Commun Chem· May 2024

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Solvent flashcards: a visualisation tool for sustainable chemistry.
Joseph Heeley, Samuel Boobier, Jonathan D Hirst

J Cheminform· May 2024

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Mind your prevalence!
Sébastien J J Guesné, Thierry Hanser, Stéphane Werner, Samuel Boobier, Shaylyn Scott

J Cheminform· April 2024

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Activation of fluoride anion as nucleophile in water with data-guided surfactant selection.
Krishna Sharma, Alison McCorry, Samuel Boobier, James Mottram, Rachel Napier

Chem Sci· April 2024

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AI4Green: An Open-Source ELN for Green and Sustainable Chemistry.
Samuel Boobier, Joseph C Davies, Ivan N Derbenev, Christopher M Handley, Jonathan D Hirst

J Chem Inf Model· May 2023

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Predicting Solvent-Dependent Nucleophilicity Parameter with a Causal Structure Property Relationship.
Samuel Boobier, Yufeng Liu, Krishna Sharma, David R J Hose, A John Blacker

J Chem Inf Model· October 2021

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Machine learning with physicochemical relationships: solubility prediction in organic solvents and water.
Samuel Boobier, David R J Hose, A John Blacker, Bao N Nguyen

Nat Commun· November 2020

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Can human experts predict solubility better than computers?
Samuel Boobier, Anne Osbourn, John B O Mitchell

J Cheminform· December 2017

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