D. Whitley

发表

Selecting Screening Candidates for Kinase and G Protein-Coupled Receptor Targets Using Neural Networks

Martyn G. Ford, David C. Whitley, Emanuela Gancia, 2002, J. Chem. Inf. Comput. Sci..

In Silico Adoption of an Orphan Nuclear Receptor NR4A1

G. Schneider, F. Reisen, D. Whitley, 2015, PloS one.

Conformation and dynamics of 8-Arg-vasopressin in solution

David C. Whitley, Elke Haensele, Lee Banting, 2014, Journal of Molecular Modeling.

Selecting Screening Candidates for Kinase and G Protein‐Coupled Receptor Targets Using Neural Networks.

D. Manallack, D. Livingstone, W. Pitt, 2002 .

BASIC TECHNOLOGY INITIATIVE : A new paradigm for virtual screening using pattern recognition , ab initio quantum mechanics and mathematical representation of molecular surfaces . A combined Basic Technology proof of concept and consortium networking proposal : Part 1

P. Usherwood, D. Livingstone, M. Ford, 2022 .

Vicinity analysis: a methodology for the identification of similar protein active sites

B. Hudson, M. Ford, D. Whitley, 2009, Journal of molecular modeling.

Quantitative structure-property relationships for predicting sorption of pharmaceuticals to sewage sludge during waste water treatment processes

D. Whitley, L. Berthod, A. Sharpe, 2017, The Science of the total environment.

Effect of sewage sludge type on the partitioning behaviour of pharmaceuticals: a meta-analysis

D. Whitley, L. Berthod, A. Sharpe, 2016 .

Pattern recognition based on color-coded quantum mechanical surfaces for molecular alignment

Martin T. Swain, B. Hudson, M. Ford, 2008, Journal of molecular modeling.

Biological data mining with neural networks: implementation and application of a flexible decision tree extraction algorithm to genomic problem domains

Antony Browne, Brian D. Hudson, Martyn G. Ford, 2004, Neurocomputing.

Use of Automatic Relevance Determination in QSAR Studies Using Bayesian Neural Networks

Frank R. Burden, Martyn G. Ford, David C. Whitley, 2000, J. Chem. Inf. Comput. Sci..

A Consensus Neural Network-Based Technique for Discriminating Soluble and Poorly Soluble Compounds

Brian D. Hudson, Martyn G. Ford, David C. Whitley, 2003, J. Chem. Inf. Comput. Sci..

Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution

Timothy Clark, Jonathan W. Essex, Jana Sopkova-de Oliveira Santos, 2017, J. Chem. Inf. Model..

A solid-phase extraction method for rapidly determining the adsorption coefficient of pharmaceuticals in sewage sludge

D. Whitley, L. Berthod, A. Sharpe, 2014, Water research.

The Extraction of Information and Knowledge from Trained Neural Networks

Antony Browne, David J Livingstone, Raymond Crichton, 2009, Artificial Neural Networks.

Can Simulations and Modeling Decipher NMR Data for Conformational Equilibria? Arginine-Vasopressin

Timothy Clark, David C. Whitley, Noureldin Saleh, 2016, J. Chem. Inf. Model..

11th German Conference on Chemoinformatics (GCC 2015)

Timothy Clark, Jonathan W. Essex, Peter Kolb, 2016, J. Cheminformatics.

QSAR studies using the parashift system

M G Ford, D C Whitley, D. Livingstone, 2008, SAR and QSAR in environmental research.

A Three-Site Mechanism for Agonist/Antagonist Selective Binding to Vasopressin Receptors.

Francesco L Gervasio, Ronan Bureau, Noureldin Saleh, 2016, Angewandte Chemie.

Selecting compounds for focused screening using linear discriminant analysis and artificial neural networks.

M G Ford, W R Pitt, D C Whitley, 2004, Journal of molecular graphics & modelling.

Unsupervised Forward Selection: A Method for Eliminating Redundant Variables

Martyn G. Ford, David C. Whitley, David J. Livingstone, 2000, J. Chem. Inf. Comput. Sci..

Extraction of comprehensible logical rules from neural networks: application of TREPAN in bio and cheminformatics

Antony Browne, Martyn G. Ford, David C. Whitley, 2005 .