John B. O. Mitchell

Search results

• Data underpinning: Is Experimental Data Quality the Limiting Factor in Predicting the Aqueous Solubility of Druglike Molecules?

  Mitchell, J. B. O. (Creator) & Palmer, D. (Creator), University of St Andrews, 11 Jun 2014

  DOI: 10.17630/1a4dbdf0-b2ba-42f6-9408-e5895ccb9faf

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• Data underpinning: One origin for metallo-β-lactamase activity, or two? An investigation assessing a diverse set of reconstructed ancestral sequences based on a sample of phylogenetic trees, Journal of Molecular Evolution, 79, 117-129 (2014)

  Mitchell, J. B. O. (Creator), Barker, D. (Creator) & Alderson, R. G. (Creator), University of St Andrews, 1 Oct 2014

  DOI: 10.17630/46100988-896f-4d05-9800-3f44060aa4bd

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• The natural history of biocatalytic mechanisms (dataset)

  Nath, N. (Creator), Mitchell, J. B. O. (Creator) & Caetano-Anolles, G. (Creator), University of St Andrews, 29 May 2014

  DOI: 10.17630/9ea8f970-c3bb-4fed-b6a2-db95e1148d8a

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• DLS-100 Solubility Dataset

  Mitchell, J. B. O. (Creator) & McDonagh, J. (Contributor), University of St Andrews, 31 Oct 2017

  DOI: 10.17630/3a3a5abc-8458-4924-8e6c-b804347605e8

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• Data Underpinning: Toward physics-based solubility computation for pharmaceuticals to rival informatics

  Fowles, D. (Creator), Palmer, D. (Creator), Guo, R. (Creator), Price, S. (Creator) & Mitchell, J. B. O. (Creator), University of St Andrews, 2021

  DOI: 10.17630/4a3b4fba-1e62-46d5-af7a-6eedfb517c67, https://doi.org/10.1021/acs.jctc.1c00130.s001

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• Practical application of a Bayesian network approach to poultry epigenetics and stress (dataset)

  Videla Rodriguez, E. A. (Creator) & Mitchell, J. B. O. (Creator), European Nucleotide Archive (ENA), 2022

  https://www.ebi.ac.uk/ena/browser/view/PRJEB34868?show=reads

  Dataset

• Data underpinning : Greedy and linear ensembles of machine learning methods outperform single approaches for QSPR regression problems

  Kew, W. (Creator) & Mitchell, J. B. O. (Creator), University of St Andrews, 2015

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• Data underpinning: Probing the average distribution of water in organic hydrate crystal structures with radial distribution functions (RDFs)

  Skyner, R. E. (Creator), Mitchell, J. B. O. (Creator) & Groom, C. (Contributor), Royal Society of Chemistry, 19 Dec 2016

  https://doi.org/10.1039/C6CE02119K

  Dataset

• Data underpinning: Why do sequence signatures predict enzyme mechanism? Homology versus Chemistry

  Beattie, K. (Creator), De Ferrari, L. (Creator) & Mitchell, J. B. O. (Creator), SAGE Publications Ltd STM, 2015

  http://www.la-press.com/why-do-sequence-signatures-predict-enzyme-mechanism-homology-versus-ch-article-a5293

  Dataset

• Additional file 1 of Practical application of a Bayesian network approach to poultry epigenetics and stress

  Videla Rodriguez, E. A. (Creator), Pértille, F. (Creator), Guerrero-Bosagna, C. (Creator), Mitchell, J. B. O. (Creator), Jensen, P. (Creator) & Smith, V. A. (Creator), Figshare, 2022

  DOI: 10.6084/m9.figshare.20219738.v1

  Dataset

• Computational Insights into the Catalytic Mechanism of Is-PETase: An Enzyme Capable of degrading poly(ethylene) terephthalate (dataset)

  Shrimpton-Phoenix, E. (Creator), Mitchell, J. B. O. (Creator) & Buehl, M. (Creator), University of St Andrews, 27 Oct 2022

  DOI: 10.17630/486acc90-3be5-43c2-aa08-17c02096bb85

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• Read 2024 Mass Specs Raw Data, kinetics raw data, and Sequence Alignments

  Read, B. (Creator), Guimaraes da Silva, R. (Creator) & Mitchell, J. (Creator), Figshare, 2024

  DOI: 10.6084/m9.figshare.24631194.v2

  Dataset