Valerie J. Gillet

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A simulation study of the use of similarity fusion for ligand-based virtual screening

Peter Willett, Martin Whittle, Valerie J. Gillet, 2010 .

Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs.

Peter Willett, Valerie J. Gillet, Eleanor J. Gardiner, 2007 .

Computational analysis of molecular diversity for drug discovery

Darren V. S. Green, John Bradshaw, Peter Willett, 1999, RECOMB.

Computer storage and retrieval of generic chemical structures in patents. 10. Assignment and logical bubble-up of ring screens for structurally explicit generics

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1989, J. Chem. Inf. Comput. Sci..

John Bradshaw, Peter Willett, Valerie J. Gillet, 1998, Comput. J..

Analysis of Neighborhood Behavior in Lead Optimization and Array Design

Visakan Kadirkamanathan, George Papadatos, Peter Willett, 2009, J. Chem. Inf. Model..

Combinatorial Chemistry And Library Design

Andrew R. Leach, Valerie J. Gillet, 2007 .

Theoretical aspects of ring perception and development of the extended set of smallest rings concept

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1989, J. Chem. Inf. Comput. Sci..

Generic chemical structures in patents — an evaluation of the Sheffield University research work

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1989 .

Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries

Valerie J. Gillet, Orazio Nicolotti, V. Gillet, 2000 .

Investigation of the Use of Spectral Clustering for the Analysis of Molecular Data

Valerie J. Gillet, Eleanor J. Gardiner, David A. Cosgrove, 2014, J. Chem. Inf. Model..

Perspectives on Knowledge Discovery Algorithms Recently Introduced in Chemoinformatics: Rough Set Theory, Association Rule Mining, Emerging Patterns, and Formal Concept Analysis

Valerie J. Gillet, Eleanor J. Gardiner, V. Gillet, 2015, J. Chem. Inf. Model..

Evaluation of the screening stages of the Sheffield Research Project on Computer Storage and Retrieval of Generic Chemical Structures in Patents

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1994, J. Chem. Inf. Comput. Sci..

Computer storage and retrieval of generic chemical structures in patents. 11. Theoretical aspects of the use of structure languages in a retrieval system

Michael F. Lynch, John M. Barnard, Valerie J. Gillet, 1991, J. Chem. Inf. Comput. Sci..

Reactant- and product-based approaches to the design of combinatorial libraries

Valerie J. Gillet, 2004, Molecular Diversity.

Knowledge-Based Approach to de Novo Design Using Reaction Vectors

Valerie J. Gillet, Michael J. Bodkin, Hina Patel, 2009, J. Chem. Inf. Model..

De Novo Molecular Design

Valerie J. Gillet, V. Gillet, 2000 .

Evolving Interpretable Structure-Activity Relationship Models. 2. Using Multiobjective Optimization To Derive Multiple Models

Gavin Harper, Valerie J. Gillet, Stephen D. Pickett, 2008, J. Chem. Inf. Model..

An Introduction to Chemoinformatics

Andrew R. Leach, Valerie J. Gillet, A. Leach, 2003 .

Peter Willett, Valerie J. Gillet, P. Willett, 2001 .

Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search

Michael F. Lynch, John M. Barnard, Stephen M. Welford, 1986, Journal of chemical information and computer sciences.

New structural alerts for Ames mutagenicity discovered using emerging pattern mining techniques

Valerie J. Gillet, Jonathan D. Vessey, Laurence Coquin, 2015 .

John Bradshaw, Peter Willett, Valerie J. Gillet, 2003, J. Chem. Inf. Comput. Sci..

Enhancing reaction-based de novo design using a multi-label reaction class recommender

Dimitar Hristozov, Valerie J. Gillet, Michael J. Bodkin, 2020, Journal of Computer-Aided Molecular Design.

Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment

Valerie J. Gillet, Stefan Senger, Eleanor J. Gardiner, 2012, J. Chem. Inf. Model..

Jérôme Hert, Peter Willett, Valerie J. Gillet, 2009, Stat. Anal. Data Min..

USING CHEMOINFORMATICS TOOLS TO ANALYZE CHEMICAL ARRAYS IN LEAD OPTIMIZATION

Peter Willett, George Papadatos, Peter Willett, 2013 .

Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms

John Bradshaw, Peter Willett, Valerie J. Gillet, 1998, J. Chem. Inf. Comput. Sci..

Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining

Valerie J. Gillet, Philip N. Judson, Jonathan D. Vessey, 2012, J. Chem. Inf. Model..

Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques

Valerie J. Gillet, Robin Taylor, David J. Wilton, 2004, J. Comput. Aided Mol. Des..

Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations

Valerie J. Gillet, Robin Taylor, Eleanor J. Gardiner, 2009, J. Chem. Inf. Model..

Analysis Of High-Throughput Screening Data

Andrew R. Leach, Valerie J. Gillet, 2007 .

Peter Willett, Valerie J. Gillet, Ansgar Schuffenhauer, 2000, J. Chem. Inf. Comput. Sci..

Gavin Harper, Valerie J. Gillet, Stephen D. Pickett, 2006, J. Chem. Inf. Model..

Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties

Darren V. S. Green, John Bradshaw, Peter Willett, 1999, J. Chem. Inf. Comput. Sci..

Incorporating partial matches within multiobjective pharmacophore identification

Valerie J. Gillet, Robin Taylor, Simon J. Cottrell, 2006, J. Comput. Aided Mol. Des..

Mining for Context‐Sensitive Bioisosteric Replacements in Large Chemical Databases

Peter Willett, Valerie J. Gillet, Michael J. Bodkin, 2012 .

Computer storage and retrieval of generic chemical structures in patents. 13. Reduced graph generation

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1991, J. Chem. Inf. Comput. Sci..

Computer storage and retrieval of generic chemical structures in patents. 15. Generation of topological fragment descriptors from nontopological representations of generic structure components

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1993, J. Chem. Inf. Comput. Sci..

Reactant- and product-based approaches to the design of combinatorial libraries

Valerie J. Gillet, 2002, J. Comput. Aided Mol. Des..

Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis

Peter Willett, Valerie J. Gillet, John D. Holliday, 2003, J. Inf. Sci..

Computational methods for the analysis of molecular diversity

Peter Willett, Valerie J. Gillet, P. Willett, 1996 .

Data mining of search engine logs

Martin Whittle, Valerie J. Gillet, Barry Eaglestone, 2007, J. Assoc. Inf. Sci. Technol..

Analysis of Data Fusion Methods in Virtual Screening: Similarity and Group Fusion

Peter Willett, Martin Whittle, Valerie J. Gillet, 2006, J. Chem. Inf. Model..

The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries

John Bradshaw, Peter Willett, Valerie J. Gillet, 1997, J. Chem. Inf. Comput. Sci..

Calculating the knowledge-based similarity of functional groups using crystallographic data

Paul Watson, Peter Willett, Valerie J. Gillet, 2001, J. Comput. Aided Mol. Des..

Chemical graph matching using transputer networks

Michael F. Lynch, Peter Willett, Valerie J. Gillet, 1988, Parallel Comput..

Toxicological knowledge discovery by mining emerging patterns from toxicity data

Valerie J. Gillet, Philip N. Judson, Thierry Hanser, 2013, Journal of Cheminformatics.

A Simulation Study of the Use of Similarity Fusion for Virtual Screening

Peter Willett, Martin Whittle, Valerie J. Gillet, 2011 .

Background Theory of Molecular Diversity

Valerie J. Gillet, V. Gillet, 2002 .

Multiobjective De Novo Design of Synthetically Accessible Compounds

Dimitar Hristozov, Valerie J. Gillet, Michael J. Bodkin, 2013 .

Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity

Visakan Kadirkamanathan, George Papadatos, Peter Willett, 2010, J. Chem. Inf. Model..

Comparison of Conformational Analysis Techniques To Generate Pharmacophore Hypotheses Using Catalyst

Valerie J. Gillet, David A. Thorner, Richard A. Lewis, 2005, J. Chem. Inf. Model..

The Sheffield University Generic Chemical Structures Project — A Review of Progress and of Outstanding Problems

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1988 .

Combinatorial Library Design Using a Multiobjective Genetic Algorithm

Peter J. Fleming, Darren V. S. Green, Peter Willett, 2002, J. Chem. Inf. Comput. Sci..

Query transformations and their role in Web searching by the general public

Martin Whittle, Valerie J. Gillet, Barry Eaglestone, 2006, Inf. Res..

SPROUT: A program for structure generation

Valerie J. Gillet, Philip Williams, A. Peter Johnson, 1993, J. Comput. Aided Mol. Des..

Evolving Interpretable Structure-Activity Relationships. 1. Reduced Graph Queries

Gavin Harper, Valerie J. Gillet, Stephen D. Pickett, 2008, J. Chem. Inf. Model..

Development and validation of an improved algorithm for overlaying flexible molecules

Valerie J. Gillet, Oliver Korb, Robin Taylor, 2012, Journal of Computer-Aided Molecular Design.

A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP

Andrew R. Leach, Valerie J. Gillet, Gianpaolo Bravi, 2002, J. Comput. Aided Mol. Des..

Introduction to computer-assisted combinatorial chemistry

Peter Willett, Valerie J. Gillet, P. Willett, 2001 .

Optimizing the Size and Configuration of Combinatorial Libraries

Trudi Wright, Darren V. S. Green, Valerie J. Gillet, 2003, J. Chem. Inf. Comput. Sci..

Automated structure design in 3D

Valerie J. Gillet, A. P. Johnson, Sandor Sike, 1990 .

SPROUT: 3D Structure Generation Using Templates

Valerie J. Gillet, Glenn J. Myatt, A. Peter Johnson, 1995, J. Chem. Inf. Comput. Sci..

Analysis of Data Fusion Methods in Virtual Screening: Theoretical Model

Valerie J. Gillet, Peter Willett, Martin Whittle, 2006, J. Chem. Inf. Model..

Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis

Valerie J. Gillet, Peter Ertl, Nathan Brown, 2006, J. Chem. Inf. Model..

Emerging Pattern Mining To Aid Toxicological Knowledge Discovery

Valerie J. Gillet, Philip N. Judson, Samuel J. Webb, 2014, J. Chem. Inf. Model..

Scaffold Hopping Using Clique Detection Applied to Reduced Graphs

Peter Willett, Valerie J. Gillet, Eleanor J. Gardiner, 2006, J. Chem. Inf. Model..

SPROUT: Recent developments in the de novo design of molecules

Valerie J. Gillet, Glenn J. Myatt, A. Peter Johnson, 1994, J. Chem. Inf. Comput. Sci..

Review of ring perception algorithms for chemical graphs

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1989, J. Chem. Inf. Comput. Sci..

Applications of Chemoinformatics in Drug Discovery

Valerie J. Gillet, V. Gillet, 2019, Biomolecular and Bioanalytical Techniques.

Data mining of search engine logs

Martin Whittle, Valerie J. Gillet, Barry Eaglestone, 2007 .

Computer storage and retrieval of generic chemical structures in patents. 14. Fragment generation from generic structures

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1992, J. Chem. Inf. Comput. Sci..

Further Development of Reduced Graphs for Identifying Bioactive Compounds

Jeff Morris, Valerie J. Gillet, Eleanor J. Gardiner, 2003, J. Chem. Inf. Comput. Sci..

Searching a full generics database

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1993 .

4.08 – Compound Selection Using Measures of Similarity and Dissimilarity

Peter Willett, Valerie J. Gillet, P. Willett, 2007 .

Validation of Reaction Vectors for de novo Design

Dimitar Hristozov, Valerie J. Gillet, Michael J. Bodkin, 2012 .

SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility

Valerie J. Gillet, Glenn J. Myatt, Zsolt Zsoldos, 1995 .

Jérôme Hert, Peter Willett, Valerie J. Gillet, 2009 .

A Comparison of Field‐Based Similarity Searching Methods: CatShape, FBSS, and ROCS.

Andrew R. Leach, Martin Whittle, Valerie J. Gillet, 2008 .

Computer Storage and Retrieval of Generic Chemical Structures in Patents. Part 12. Principles of Search Operations Involving Parameter Lists: Matching‐Relations, User‐Defined Match Levels, and Transition from the Reduced Graph Search to the Refined Search.

Michael F. Lynch, John M. Barnard, Valerie J. Gillet, 1991 .

Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties.

Darren V. S. Green, Peter Willett, Valerie J. Gillet, 1999 .

Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations.

Valerie J. Gillet, Robin Taylor, Eleanor J. Gardiner, 2010 .

Computer Storage and Retrieval of Generic Chemical Structures in Patents. Part 10. Assignment and Logical Bubble-Up of Ring Screens for Structurally Explicit Generics.

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1989 .

Peter Willett, Valerie J. Gillet, Ansgar Schuffenhauer, 2000 .

Application of Evolutionary Algorithms to Combinatorial Library Design

Valerie J. Gillet, V. Gillet, 2003 .

Selecting Diverse Sets Of Compounds

Andrew R. Leach, Valerie J. Gillet, 2007 .

Review of Ring Perception Algorithms for Chemical Graphs.

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1989 .

Computer Storage and Retrieval of Generic Chemical Structures in Patents. Part 14. Fragment Generation from Generic Structures.

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1993 .

Theoretical Aspects of Ring Perception and Development of the Extended Set of Smallest Rings Concept.

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1989 .

Further Development of Reduced Graphs for Identifying Bioactive Compounds.

Valerie J. Gillet, Eleanor J. Gardiner, Edward J. Barker, 2003 .

Representation And Manipulation Of 2D Molecular Structures

Andrew R. Leach, Valerie J. Gillet, A. Leach, 2007 .

Diversity selection algorithms

Valerie J. Gillet, V. Gillet, 2011 .

Computer Storage and Retrieval of Generic Chemical Structures in Patents. Part 9. An Algorithm to Find the Extended Set of Smallest Rings in Structurally Explicit Generics.

Michael F. Lynch, Valerie J. Gillet, John D. Holliday, 1989 .