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In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naive Bayes and Parzen-Rosenblatt Window

Journal of chemical information and modeling, 2013-08, Vol.53 (8), p.1957-1966

2013

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Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance

Journal of Chemical Information and Computer Sciences, 2004-09, Vol.44 (5), p.1708-1718

2004

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Predicting the mechanism of phospholipidosis

Journal of cheminformatics, 2012-01, Vol.4 (1), p.2-2, Article 2

2012

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Classifying Large Chemical Data Sets: Using A Regularized Potential Function Method

Journal of chemical information and modeling, 2011-01, Vol.51 (1), p.4-14

2011

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Classifying Molecules Using a Sparse Probabilistic Kernel Binary Classifier

Journal of chemical information and modeling, 2011-07, Vol.51 (7), p.1539-1544

2011

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Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier

Journal of Chemical Information and Computer Sciences, 2004-01, Vol.44 (1), p.170-178

2004

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Understanding the mode-of-action of Cassia auriculata via in silico and in vivo studies towards validating it as a long term therapy for type II diabetes

Journal of ethnopharmacology, 2017-02, Vol.197, p.61-72

2017

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Calculating quasi-bound rotation-vibrational states of HOCl using massively parallel computers

Chemical physics letters, 2002-12, Vol.366 (5), p.449-457

2002

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The Parzen Window method: In terms of two vectors and one matrix

Pattern recognition letters, 2015-10, Vol.63, p.30-35

2015

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A multi-label approach to target prediction taking ligand promiscuity into account

Journal of cheminformatics, 2015-05, Vol.7 (1), p.24-24, Article 24

2015

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Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers

Journal of cheminformatics, 2014-05, Vol.6 (1), p.29-29, Article 29

2014

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Note on Naive Bayes Based on Binary Descriptors in Cheminformatics

Journal of chemical information and modeling, 2012-10, Vol.52 (10), p.2494-2500

2012

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Erratum for “In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window”

Journal of chemical information and modeling, 2014-07, Vol.54 (7), p.2180-2182

2014

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The Aitchison and Aitken Kernel Function Revisited

Journal of mathematics research, 2013-03, Vol.5 (1), p.22-22

Mussa, Hamse Y.

2013

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Full “Laplacianised” posterior naive Bayesian algorithm

Journal of cheminformatics, 2013-08, Vol.5 (1), p.37-37, Article 37

2013

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Enzyme mechanism prediction: a template matching problem on InterPro signature subspaces

BMC research notes, 2015-12, Vol.8 (1), p.744-744, Article 744

2015

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Probability Based hERG Blocker Classifiers

Molecular informatics, 2012-09, Vol.31 (9), p.679-685

2012

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Molecular Surface Point Environments for Virtual Screening and the Elucidation of Binding Patterns (MOLPRINT 3D)

Journal of medicinal chemistry, 2004-12, Vol.47 (26), p.6569-6583

2004

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Verifying the fully “Laplacianised” posterior Naïve Bayesian approach and more

Journal of cheminformatics, 2015-06, Vol.7 (1), p.27-27, Article 27

2015

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A note on utilising binary features as ligand descriptors

Journal of cheminformatics, 2015-12, Vol.7 (1), p.58-58, Article 58

2015

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Probabilistic classifier: generated using randomised sub-sampling of the feature space

Journal of cheminformatics, 2012-05, Vol.4 (Suppl 1), p.P40-P40, Article P40

2012

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Screening for Dihydrofolate Reductase Inhibitors Using MOLPRINT 2D, a Fast Fragment-Based Method Employing the Naïve Bayesian Classifier: Limitations of the Descriptor and the Importance of Balanced Chemistry in Training and Test Sets

Journal of biomolecular screening, 2005-10, Vol.10 (7), p.658-666

2005

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Note on the Rademacher-Walsh Polynomial Basis Functions

Journal of mathematics research, 2013-03, Vol.5 (1), p.114-114

2013

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Calculation of the rotation–vibration states of water up to dissociation

The Journal of chemical physics, 1998-12, Vol.109 (24), p.10885-10892

1998

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Memory-Efficient Fully Coupled Filtering Approach for Observational Model Building

IEEE transactions on neural networks, 2010-04, Vol.21 (4), p.680-686

2010

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In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naive Bayes and Parzen-Rosenblatt Window

Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance

Predicting the mechanism of phospholipidosis

Classifying Large Chemical Data Sets: Using A Regularized Potential Function Method

Classifying Molecules Using a Sparse Probabilistic Kernel Binary Classifier

Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier

Understanding the mode-of-action of Cassia auriculata via in silico and in vivo studies towards validating it as a long term therapy for type II diabetes

Calculating quasi-bound rotation-vibrational states of HOCl using massively parallel computers

The Parzen Window method: In terms of two vectors and one matrix

A multi-label approach to target prediction taking ligand promiscuity into account

Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers

Note on Naive Bayes Based on Binary Descriptors in Cheminformatics

Erratum for “In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window”

The Aitchison and Aitken Kernel Function Revisited

Full “Laplacianised” posterior naive Bayesian algorithm

Enzyme mechanism prediction: a template matching problem on InterPro signature subspaces

Probability Based hERG Blocker Classifiers

Molecular Surface Point Environments for Virtual Screening and the Elucidation of Binding Patterns (MOLPRINT 3D)

Verifying the fully “Laplacianised” posterior Naïve Bayesian approach and more

A note on utilising binary features as ligand descriptors

Probabilistic classifier: generated using randomised sub-sampling of the feature space

Screening for Dihydrofolate Reductase Inhibitors Using MOLPRINT 2D, a Fast Fragment-Based Method Employing the Naïve Bayesian Classifier: Limitations of the Descriptor and the Importance of Balanced Chemistry in Training and Test Sets

Note on the Rademacher-Walsh Polynomial Basis Functions

Calculation of the rotation–vibration states of water up to dissociation

Memory-Efficient Fully Coupled Filtering Approach for Observational Model Building

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