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Theoretical and Computational Chemistry

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Thomas Gaertner

3 results in Authors: Thomas Gaertner

Theoretical and Computational Chemistry

Krein Support Vector Machine Classification of Antimicrobial Peptides

Joseph Redshaw, Darren Ting, Alex Brown, Jonathan Hirst, Thomas Gaertner

Version 2 posted 17 June 2022

333

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Theoretical and Computational Chemistry

Interactive Knowledge-based Kernel PCA for Solvent Selection

Samuel Boobier, Joseph Heeley, Thomas Gaertner, Jonathan Hirst

Version 1 posted 24 September 2024

149

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Theoretical and Computational Chemistry

Kernel Methods for Predicting Yields of Chemical Reactions

Alexe Haywood, Joseph Redshaw, Magnus Hanson-Heine, Adam Taylor, Alex Brown, Andy Mason, Thomas Gaertner, Jonathan Hirst

Version 1 posted 01 April 2021

1,015

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