John B. O. Mitchell - researchr alias

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Viewing Publication 1 - 44 from 44

2022

Practical application of a Bayesian network approach to poultry epigenetics and stressEmiliano A. Videla Rodriguez, Fábio Pértille, Carlos Guerrero-Bosagna, John B. O. Mitchell, Per Jensen, V. Anne Smith. bmcbi, 23(1):261, 2022. [doi]

2017

Can human experts predict solubility better than computers?Samuel Boobier, Anne Osbourn, John B. O. Mitchell. jcheminf, 9(1), 2017. [doi]

2016

Are the Sublimation Thermodynamics of Organic Molecules Predictable?James L. McDonagh, David S. Palmer, Tanja Van Mourik, John B. O. Mitchell. jcisd, 56(11):2162-2179, 2016. [doi]

2015

2014

From sequence to enzyme mechanism using multi-label machine learningLuna De Ferrari, John B. O. Mitchell. bmcbi, 15:150, 2014. [doi]

Erratum for "In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window"Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender. jcisd, 54(7):2180-2182, 2014. [doi]

Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike MoleculesJames L. McDonagh, Neetika Nath, Luna De Ferrari, Tanja Van Mourik, John B. O. Mitchell. jcisd, 54(3):844-856, 2014. [doi]

PFClust: an optimised implementation of a parameter-free clustering algorithmKhadija Musayeva, Tristan Henderson, John B. O. Mitchell, Lazaros Mavridis. scfbm, 9:5, 2014. [doi]

The Natural History of Biocatalytic MechanismsNeetika Nath, John B. O. Mitchell, Gustavo Caetano-Anollés. ploscb, 10(5), 2014. [doi]

2013

4273pi: Bioinformatics education on low cost ARM hardwareDaniel Barker, David E. K. Ferrier, Peter W. H. Holland, John B. O. Mitchell, Heleen Plaisier, Michael G. Ritchie, Steven D. Smart. bmcbi, 14:243, 2013. [doi]

In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt WindowAlexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender. jcisd, 53(8):1957-1966, 2013. [doi]

PFClust: a novel parameter free clustering algorithmLazaros Mavridis, Neetika Nath, John B. O. Mitchell. bmcbi, 14:213, 2013. [doi]

Predicting the protein targets for athletic performance-enhancing substancesLazaros Mavridis, John B. O. Mitchell. jcheminf, 5:31, 2013. [doi]

Full "Laplacianised" posterior naive Bayesian algorithmHamse Y. Mussa, John B. O. Mitchell, Robert C. Glen. jcheminf, 5:37, 2013. [doi]

2012

Predicting the mechanism of phospholipidosisRobert Lowe, Hamse Y. Mussa, Florian Nigsch, Robert C. Glen, John B. O. Mitchell. jcheminf, 4:2, 2012. [doi]

Is EC class predictable from reaction mechanism?Neetika Nath, John B. O. Mitchell. bmcbi, 13:60, 2012. [doi]

Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasetsRichard Marchese Robinson, Robert C. Glen, John B. O. Mitchell. jcheminf, 4(S-1):6, 2012. [doi]

2011

Comments on "Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets": Significance for the Validation of Scoring FunctionsPedro J. Ballester, John B. O. Mitchell. jcisd, 51(8):1739-1741, 2011. [doi]

Classifying Molecules Using a Sparse Probabilistic Kernel Binary ClassifierRobert Lowe, Hamse Y. Mussa, John B. O. Mitchell, Robert C. Glen. jcisd, 51(7):1539-1544, 2011. [doi]

2010

Quantitative Comparison of Catalytic Mechanisms and Overall Reactions in Convergently Evolved Enzymes: Implications for Classification of Enzyme FunctionDaniel E. Almonacid, Emmanuel R. Yera, John B. O. Mitchell, Patricia C. Babbitt. ploscb, 6(3), 2010. [doi]

A machine learning approach to predicting protein-ligand binding affinity with applications to molecular dockingPedro J. Ballester, John B. O. Mitchell. bioinformatics, 26(9):1169-1175, 2010. [doi]

2008

Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log PLaura D. Hughes, David S. Palmer, Florian Nigsch, John B. O. Mitchell. jcisd, 48(1):220-232, 2008. [doi]

How To Winnow Actives from Inactives: Introducing Molecular Orthogonal Sparse Bigrams (MOSBs) and Multiclass WinnowFlorian Nigsch, John B. O. Mitchell. jcisd, 48(2):306-318, 2008. [doi]

Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance StatisticsFlorian Nigsch, Andreas Bender, Jeremy L. Jenkins, John B. O. Mitchell. jcisd, 48(12):2313-2325, 2008. [doi]

2007

Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compoundsEdward O. Cannon, Ata Amini, Andreas Bender, Michael J. E. Sternberg, Stephen H. Muggleton, Robert C. Glen, John B. O. Mitchell. jcamd, 21(5):269-280, 2007. [doi]

MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanismsGemma L. Holliday, Daniel E. Almonacid, Gail J. Bartlett, Noel M. O Boyle, James W. Torrance, Peter Murray-Rust, John B. O. Mitchell, Janet M. Thornton. nar, 35(Database-Issue):515-520, 2007. [doi]

Scoring functions and enrichment: a case study on Hsp90Chrysi Konstantinou-Kirtay, John B. O. Mitchell, James A. Lumley. bmcbi, 8, 2007. [doi]

Random Forest Models To Predict Aqueous SolubilityDavid S. Palmer, Noel M. O'Boyle, Robert C. Glen, John B. O. Mitchell. jcisd, 47(1):150-158, 2007. [doi]

2006

2005

2003

Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein-ligand complexesDushyanthan Puvanendrampillai, John B. O. Mitchell. bioinformatics, 19(14):1856-1857, 2003.

2001

The Relationship between the Sequence Identities of Alpha Helical Proteins in the PDB and the Molecular Similarities of Their LigandsJohn B. O. Mitchell. jcisd, 41(6):1617-1622, 2001. [doi]

Evaluation of a knowledge-based potential of mean force for scoring docked protein-ligand complexesIrene Nobeli, John B. O. Mitchell, Alexander Alex, Janet M. Thornton. jcc, 22(7):673-688, 2001. [doi]

1999

1994

Gaussian Multipoles in Practice: Electrostatic Energeis for Intermolecular PotentialsRichard J. Wheatley, John B. O. Mitchell. jcc, 15(11):1187-1198, 1994.

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Publications by 'John B. O. Mitchell'

Viewing Publication 1 - 44 from 44

2022

2017

2016

2015

2014

2013

2012

2011

2010

2008

2007

2006

2005

2003

2001

1999

1994

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