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D-Index & Metrics

Engineering and Technology

D-Index
38
Citations
5865
World Ranking
8050
National Ranking
508

Overview

Valerie J. Gillet is affiliated with the University of Sheffield in the United Kingdom. Their research spans multiple fields, primarily focusing on Medicine and Computer Science. Within these broad areas, they have contributed notably to subfields such as Computational Theory and Mathematics, Materials Chemistry, Oncology, Experimental and Cognitive Psychology, and Physiology.

The main topics of their scientific work revolve around Computational Drug Discovery Methods and Machine Learning in Materials Science. Additional research interests include Cancer survivorship and care, Sleep and related disorders, Cancer-related cognitive impairment studies, Chemical Synthesis and Analysis, and Childhood Cancer Survivors' Quality of Life.

Gillet has authored several papers published in recognized scientific journals. Some recent publications include:

  • Enhancing reaction-based de novo design using a multi-label reaction class recommender, 2020, Journal of Computer-Aided Molecular Design
  • Analysis of the benefits of imputation models over traditional QSAR models for toxicity prediction, 2022, Journal of Cheminformatics
  • RENATE: A Pseudo-retrosynthetic Tool for Synthetically Accessible de novo Design, 2021, Molecular Informatics
  • Interpreting Neural Network Models for Toxicity Prediction by Extracting Learned Chemical Features, 2024, Journal of Chemical Information and Modeling
  • A multidisciplinary weight loss intervention in obese adolescents with and without sleep-disordered breathing improves cardiometabolic health, whether SDB was normalized or not, 2020, Sleep Medicine

Their frequent coauthors highlight collaborative research efforts. The most frequent collaborators include Fabienne Mougin, Chloé Drozd, Nathalie Méneveau, Elsa Curtit, and Quentin Jacquinot.

Valerie J. Gillet's work is regularly published in several scientific journals, with multiple publications appearing in venues such as Médecine du Sommeil, Journal of Cheminformatics, Molecular Informatics, Research Square, and Journal of Chemical Information and Modeling.

Best Publications

  • SPROUT: A program for structure generation

    Valerie J. Gillet;A. Peter Johnson;Paulina Mata;Sandor Sike

  • Identification of biological activity profiles using substructural analysis and genetic algorithms.

    Valerie J. Gillet;Peter Willett;John Bradshaw

  • SPROUT: recent developments in the de novo design of molecules.

    V J Gillet;W Newell;P Mata;G Myatt

  • Combinatorial library design using a multiobjective genetic algorithm.

    Valerie J. Gillet;Wael Khatib;Peter Willett;Peter J. Fleming

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

    Valerie J. Gillet;Peter Willett;John Bradshaw

  • Similarity searching using reduced graphs.

    Valerie J. Gillet;Peter Willett;John Bradshaw

  • Review of ring perception algorithms for chemical graphs

    Geoffrey M. Downs;Valerie J. Gillet;John D. Holliday;Michael F. Lynch

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

    Yogendra Patel;Valerie J. Gillet;Gianpaolo Bravi;Andrew R. Leach

  • Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties

    Valerie J. Gillet;Peter Willett;John Bradshaw;Darren V. S. Green

  • Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

    Yvonne C. Martin;Ruben Abagyan;György G. Ferenczy;Val J. Gillet

  • Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity.

    George Papadatos;Muhammad Alkarouri;Valerie J Gillet;Peter Willett

  • Enhancing the effectiveness of virtual screening by fusing nearest neighbor lists: a comparison of similarity coefficients.

    Martin Whittle;Valerie J. Gillet;Peter Willett;Alexander Alex

  • Multiobjective Optimization in Quantitative Structure−Activity Relationships: Deriving Accurate and Interpretable QSARs

    Orazio Nicolotti;Valerie J. Gillet;Peter J. Fleming;Darren V. S. Green

  • Scaffold hopping using clique detection applied to reduced graphs.

    Edward J. Barker;David Buttar;David A. Cosgrove;Eleanor J. Gardiner

  • Similarity searching in files of three-dimensional chemical structures: analysis of the BIOSTER database using two-dimensional fingerprints and molecular field descriptors

    Ansgar Schuffenhauer;Valerie J. Gillet;Peter Willett

  • Comparison of conformational analysis techniques to generate pharmacophore hypotheses using catalyst.

    Rajendra Kristam;Valerie J. Gillet;Richard A. Lewis;David A. Thorner

  • Designing focused libraries using MoSELECT.

    Valerie J. Gillet;Peter Willett;Peter J. Fleming;Darren V.S. Green

  • Analysis of data fusion methods in virtual screening: similarity and group fusion.

    Martin Whittle;Valerie J. Gillet;Peter Willett;Jens Loesel

  • Further development of reduced graphs for identifying bioactive compounds.

    Edward J. Barker;Eleanor J. Gardiner;Valerie J. Gillet;Paula Kitts

  • Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques.

    Simon J. Cottrell;Valerie J. Gillet;Robin Taylor;David J. Wilton

  • Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval

    Valerie J. Gillet;Geoffrey M. Downs;Al Ling;Michael F. Lynch

  • SPROUT: 3D Structure Generation Using Templates

    Paulina Mata;Valerie J. Gillet;A. Peter Johnson;Jorge Lampreia

Frequent Co-Authors

Peter Willett
Peter Willett University of Sheffield
Peter J. Fleming
Peter J. Fleming University of Sheffield
Nigel Ford
Nigel Ford University of Sheffield
Visakan Kadirkamanathan
Visakan Kadirkamanathan University of Sheffield
Maciej Haranczyk
Maciej Haranczyk Madrid Institute for Advanced Studies
Ruben Abagyan
Ruben Abagyan University of California, San Diego
David A. Winkler
David A. Winkler La Trobe University
Jim A. Thomas
Jim A. Thomas University of Sheffield

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