John B. O. Mitchell

44 papers Journal 43Unranked 1

Year	Rank	Type	Title / Venue / Authors
2022	J	`jnl`	Practical application of a Bayesian network approach to poultry epigenetics and stress. BMC Bioinform. Emiliano A. Videla Rodriguez, Fábio Pértille, Carlos Guerrero-Bosagna, John B. O. Mitchell, Per Jensen, V. Anne Smith
2017	J	`jnl`	Can human experts predict solubility better than computers? J. Cheminformatics Samuel Boobier, Anne Osbourn, John B. O. Mitchell
2016	J	`jnl`	Are the Sublimation Thermodynamics of Organic Molecules Predictable? J. Chem. Inf. Model. James L. McDonagh, David S. Palmer, Tanja Van Mourik, John B. O. Mitchell
2015	J	`jnl`	A note on utilising binary features as ligand descriptors. J. Cheminformatics Hamse Y. Mussa, John B. O. Mitchell, Robert C. Glen
2015	J	`jnl`	Predicting targets of compounds against neurological diseases using cheminformatic methodology. J. Comput. Aided Mol. Des. Katarina Nikolic, Lazaros Mavridis, Oscar M. Bautista-Aguilera, José Marco-Contelles, Holger Stark, Maria do Carmo Carreiras, Ilaria Rossi, Paola Massarelli, Danica Agbaba, Rona R. Ramsay, John B. O. Mitchell
2015	J	`jnl`	The Parzen Window method: In terms of two vectors and one matrix. Pattern Recognit. Lett. Hamse Y. Mussa, John B. O. Mitchell, Avid M. Afzal
2015	J	`jnl`	Verifying the fully "Laplacianised" posterior Naïve Bayesian approach and more. J. Cheminformatics Hamse Y. Mussa, David Marcus, John B. O. Mitchell, Robert C. Glen
2014	J	`jnl`	Erratum for "In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window". J. Chem. Inf. Model. Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender
2014	J	`jnl`	From sequence to enzyme mechanism using multi-label machine learning. BMC Bioinform. Luna De Ferrari, John B. O. Mitchell
2014	J	`jnl`	PFClust: an optimised implementation of a parameter-free clustering algorithm. Source Code Biol. Medicine Khadija Musayeva, Tristan Henderson, John B. O. Mitchell, Lazaros Mavridis
2014	J	`jnl`	The Natural History of Biocatalytic Mechanisms. PLoS Comput. Biol. Neetika Nath, John B. O. Mitchell, Gustavo Caetano-Anollés
2014	J	`jnl`	Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules. J. Chem. Inf. Model. James L. McDonagh, Neetika Nath, Luna De Ferrari, Tanja Van Mourik, John B. O. Mitchell
2013	J	`jnl`	4273pi: Bioinformatics education on low cost ARM hardware. BMC Bioinform. Daniel Barker, David E. K. Ferrier, Peter W. H. Holland, John B. O. Mitchell, Heleen Plaisier, Michael G. Ritchie, Steven D. Smart
2013	J	`jnl`	Full "Laplacianised" posterior naive Bayesian algorithm. J. Cheminformatics Hamse Y. Mussa, John B. O. Mitchell, Robert C. Glen
2013	J	`jnl`	In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt Window. J. Chem. Inf. Model. Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender
2013	J	`jnl`	PFClust: a novel parameter free clustering algorithm. BMC Bioinform. Lazaros Mavridis, Neetika Nath, John B. O. Mitchell
2013	J	`jnl`	Predicting the protein targets for athletic performance-enhancing substances. J. Cheminformatics Lazaros Mavridis, John B. O. Mitchell
2012	J	`jnl`	Is EC class predictable from reaction mechanism? BMC Bioinform. Neetika Nath, John B. O. Mitchell
2012	J	`jnl`	Predicting the mechanism of phospholipidosis. J. Cheminformatics Robert Lowe, Hamse Y. Mussa, Florian Nigsch, Robert C. Glen, John B. O. Mitchell
2012	J	`jnl`	Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasets. J. Cheminformatics Richard Marchese Robinson, Robert C. Glen, John B. O. Mitchell
2011	J	`jnl`	Classifying Molecules Using a Sparse Probabilistic Kernel Binary Classifier. J. Chem. Inf. Model. Robert Lowe, Hamse Y. Mussa, John B. O. Mitchell, Robert C. Glen
2011	J	`jnl`	Comments on "Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets": Significance for the Validation of Scoring Functions. J. Chem. Inf. Model. Pedro J. Ballester, John B. O. Mitchell
2010	J	`jnl`	A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking. Bioinform. Pedro J. Ballester, John B. O. Mitchell
2010	J	`jnl`	Quantitative Comparison of Catalytic Mechanisms and Overall Reactions in Convergently Evolved Enzymes: Implications for Classification of Enzyme Function. PLoS Comput. Biol. Daniel E. Almonacid, Emmanuel R. Yera, John B. O. Mitchell, Patricia C. Babbitt
2008	J	`jnl`	How To Winnow Actives from Inactives: Introducing Molecular Orthogonal Sparse Bigrams (MOSBs) and Multiclass Winnow. J. Chem. Inf. Model. Florian Nigsch, John B. O. Mitchell
2008	J	`jnl`	Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics. J. Chem. Inf. Model. Florian Nigsch, Andreas Bender, Jeremy L. Jenkins, John B. O. Mitchell
2008	J	`jnl`	Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P. J. Chem. Inf. Model. Laura D. Hughes, David S. Palmer, Florian Nigsch, John B. O. Mitchell
2007	J	`jnl`	MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms. Nucleic Acids Res. Gemma 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
2007	J	`jnl`	Random Forest Models To Predict Aqueous Solubility. J. Chem. Inf. Model. David S. Palmer, Noel M. O'Boyle, Robert C. Glen, John B. O. Mitchell
2007	J	`jnl`	Scoring functions and enrichment: a case study on Hsp90. BMC Bioinform. Chrysi Konstantinou-Kirtay, John B. O. Mitchell, James A. Lumley
2007	J	`jnl`	Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds. J. Comput. Aided Mol. Des. Edward O. Cannon, Ata Amini, Andreas Bender, Michael J. E. Sternberg, Stephen H. Muggleton, Robert C. Glen, John B. O. Mitchell
2006	J	`jnl`	Chemoinformatics-Based Classification of Prohibited Substances Employed for Doping in Sport. J. Chem. Inf. Model. Edward O. Cannon, Andreas Bender, David S. Palmer, John B. O. Mitchell
2006	—	`conf`	Classifying the World Anti-Doping Agency's 2005 Prohibited List Using the Chemistry Development Kit Fingerprint. CompLife Edward O. Cannon, John B. O. Mitchell
2006	J	`jnl`	Melting Point Prediction Employing J. Chem. Inf. Model. Florian Nigsch, Andreas Bender, Bernd van Buuren, Jos Tissen, Eduard Nigsch, John B. O. Mitchell
2005	J	`jnl`	Chemistry in Bioinformatics. BMC Bioinform. Peter Murray-Rust, John B. O. Mitchell, Henry S. Rzepa
2005	J	`jnl`	Communication and re-use of chemical information in bioscience. BMC Bioinform. Peter Murray-Rust, John B. O. Mitchell, Henry S. Rzepa
2005	J	`jnl`	MACiE: a database of enzyme reaction mechanisms. Bioinform. Gemma L. Holliday, Gail J. Bartlett, Daniel E. Almonacid, Noel M. O'Boyle, Peter Murray-Rust, Janet M. Thornton, John B. O. Mitchell
2003	J	`jnl`	Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein-ligand complexes. Bioinform. Dushyanthan Puvanendrampillai, John B. O. Mitchell
2001	J	`jnl`	Evaluation of a knowledge-based potential of mean force for scoring docked protein-ligand complexes. J. Comput. Chem. Irene Nobeli, John B. O. Mitchell, Alexander Alex, Janet M. Thornton
2001	J	`jnl`	The Relationship between the Sequence Identities of Alpha Helical Proteins in the PDB and the Molecular Similarities of Their Ligands. J. Chem. Inf. Comput. Sci. John B. O. Mitchell
1999	J	`jnl`	BLEEP - potential of mean force describing protein-ligand interactions: I. Generating potential. J. Comput. Chem. John B. O. Mitchell, Roman A. Laskowski, Alexander Alex, Janet M. Thornton
1999	J	`jnl`	BLEEP - potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data. J. Comput. Chem. John B. O. Mitchell, Roman A. Laskowski, Alexander Alex, Mark J. Forster, Janet M. Thornton
1999	J	`jnl`	SATIS: Atom Typing from Chemical Connectivity. J. Chem. Inf. Comput. Sci. John B. O. Mitchell, Alexander Alex, Michael Snarey
1994	J	`jnl`	Gaussian Multipoles in Practice: Electrostatic Energeis for Intermolecular Potentials. J. Comput. Chem. Richard J. Wheatley, John B. O. Mitchell