John B. O. Mitchell

Orcid: 0000-0002-0379-6097

According to our database1, John B. O. Mitchell authored at least 44 papers between 1994 and 2022.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2022
Practical application of a Bayesian network approach to poultry epigenetics and stress.
BMC Bioinform., 2022

2017
Can human experts predict solubility better than computers?
J. Cheminformatics, 2017

2016
Are the Sublimation Thermodynamics of Organic Molecules Predictable?
J. Chem. Inf. Model., 2016

2015
The Parzen Window method: In terms of two vectors and one matrix.
Pattern Recognit. Lett., 2015

Verifying the fully "Laplacianised" posterior Naïve Bayesian approach and more.
J. Cheminformatics, 2015

A note on utilising binary features as ligand descriptors.
J. Cheminformatics, 2015

Predicting targets of compounds against neurological diseases using cheminformatic methodology.
J. Comput. Aided Mol. Des., 2015

2014
PFClust: an optimised implementation of a parameter-free clustering algorithm.
Source Code Biol. Medicine, 2014

The Natural History of Biocatalytic Mechanisms.
PLoS Comput. Biol., 2014

Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules.
J. Chem. Inf. Model., 2014

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., 2014

From sequence to enzyme mechanism using multi-label machine learning.
BMC Bioinform., 2014

2013
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., 2013

Full "Laplacianised" posterior naive Bayesian algorithm.
J. Cheminformatics, 2013

Predicting the protein targets for athletic performance-enhancing substances.
J. Cheminformatics, 2013

PFClust: a novel parameter free clustering algorithm.
BMC Bioinform., 2013

4273pi: Bioinformatics education on low cost ARM hardware.
BMC Bioinform., 2013

2012
Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasets.
J. Cheminformatics, 2012

Predicting the mechanism of phospholipidosis.
J. Cheminformatics, 2012

Is EC class predictable from reaction mechanism?
BMC Bioinform., 2012

2011
Classifying Molecules Using a Sparse Probabilistic Kernel Binary Classifier.
J. Chem. Inf. Model., 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 Functions.
J. Chem. Inf. Model., 2011

2010
Quantitative Comparison of Catalytic Mechanisms and Overall Reactions in Convergently Evolved Enzymes: Implications for Classification of Enzyme Function.
PLoS Comput. Biol., 2010

A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking.
Bioinform., 2010

2008
How To Winnow Actives from Inactives: Introducing Molecular Orthogonal Sparse Bigrams (MOSBs) and Multiclass Winnow.
J. Chem. Inf. Model., 2008

Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics.
J. Chem. Inf. Model., 2008

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., 2008

2007
MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms.
Nucleic Acids Res., 2007

Random Forest Models To Predict Aqueous Solubility.
J. Chem. Inf. Model., 2007

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., 2007

Scoring functions and enrichment: a case study on Hsp90.
BMC Bioinform., 2007

2006
Melting Point Prediction Employing <i>k</i>-Nearest Neighbor Algorithms and Genetic Parameter Optimization.
J. Chem. Inf. Model., 2006

Chemoinformatics-Based Classification of Prohibited Substances Employed for Doping in Sport.
J. Chem. Inf. Model., 2006

Classifying the World Anti-Doping Agency's 2005 Prohibited List Using the Chemistry Development Kit Fingerprint.
Proceedings of the Computational Life Sciences II, 2006

2005
Communication and re-use of chemical information in bioscience.
BMC Bioinform., 2005

Chemistry in Bioinformatics.
BMC Bioinform., 2005

MACiE: a database of enzyme reaction mechanisms.
Bioinform., 2005

2003
Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein-ligand complexes.
Bioinform., 2003

2001
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., 2001

Evaluation of a knowledge-based potential of mean force for scoring docked protein-ligand complexes.
J. Comput. Chem., 2001

1999
SATIS: Atom Typing from Chemical Connectivity.
J. Chem. Inf. Comput. Sci., 1999

BLEEP - potential of mean force describing protein-ligand interactions: I. Generating potential.
J. Comput. Chem., 1999

BLEEP - potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data.
J. Comput. Chem., 1999

1994
Gaussian Multipoles in Practice: Electrostatic Energeis for Intermolecular Potentials.
J. Comput. Chem., 1994


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