World's Best Scientists 2026 revealed!
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Computer Science
UK
2025

D-Index & Metrics

Computer Science

D-Index
91
Citations
40804
World Ranking
574
National Ranking
35

Chemistry

D-Index
78
Citations
30236
World Ranking
3730
National Ranking
213

Research.com Recognitions

  • 2025 - Research.com Computer Science in United Kingdom Leader Award
  • 2023 - Research.com Computer Science in United Kingdom Leader Award
  • 2022 - Research.com Computer Science in United Kingdom Leader Award
  • 2010 - Patterson-Crane Award, American Chemical Society (ACS)
  • 2003 - IEEE Fellow For contributions to detection, target tracking, and signal processing.
  • 1993 - Herman Skolnik Award, American Chemical Society (ACS)

Overview

Peter Willett is affiliated with the University of Sheffield in the United Kingdom. Their research contributions span multiple fields including Computational Theory and Mathematics, Physical and Theoretical Chemistry, Statistics, Probability and Uncertainty, Molecular Biology, and Information Systems and Management.

Their recent publication record includes works published between 2020 and 2022, covering a variety of topics relevant to chemoinformatics, bibliometrics, and molecular sciences. Notable recent papers include:

  • The Literature of Chemoinformatics: 1978-2018, 2020, International Journal of Molecular Sciences
  • The impact of the Cambridge Structural Database and the small molecule crystal structures it contains: a bibliographic and literature study, 2020, CrystEngComm
  • A bibliometric analysis of the Journal of Molecular Graphics and Modelling: An update, 2022, Journal of Molecular Graphics and Modelling
  • Library Review 1989-2017: publication and citation statistics, 2020, Global Knowledge Memory and Communication

The scientist frequently publishes in the following venues:

  • IEEE Transactions on Aerospace and Electronic Systems
  • International Journal of Molecular Sciences
  • Journal of Molecular Graphics and Modelling
  • Global Knowledge Memory and Communication
  • CrystEngComm

Frequent co-authors include Lance Kaplan, Michael Rice, Judy Scharmann, Lyudmila Mihaylova, and Gökhan İnalhan. Each of these collaborators has appeared alongside Peter Willett in multiple publications.

The main topics of research encompass:

  • Computational Drug Discovery Methods
  • History and advancements in chemistry
  • Scientometrics and bibliometrics research
  • Various chemistry research topics
  • Academic publishing and open access
  • Academic writing and publishing
  • Information retrieval and search behavior

Peter Willett received the IEEE Fellow award in 2003 for contributions to detection, target tracking, and signal processing.

Best Publications

  • Development and validation of a genetic algorithm for flexible docking.

    Gareth Jones;Peter Willett;Robert C Glen;Andrew R Leach

  • Chemical Similarity Searching

    Peter Willett;John M. Barnard and;Geoffrey M. Downs

  • Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation.

    Gareth Jones;Peter Willett;Robert C. Glen

  • Recent trends in hierarchic document clustering: a critical review

    Peter Willett

  • Readings in information retrieval

    Karen Sparck Jones;Peter Willett

  • Similarity-based virtual screening using 2D fingerprints

    Peter Willett

  • The Porter stemming algorithm: then and now

    Peter Willett

  • Key concepts

    Karen Sparck Jones;Peter Willett

  • Maximum common subgraph isomorphism algorithms for the matching of chemical structures.

    John W. Raymond;Peter Willett

  • A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.

    Gareth Jones;Peter Willett;Robert C. Glen

  • The Limitations of Term Co-Occurrence Data for Query Expansion in Document Retrieval Systems.

    Helen J. Peat;Peter Willett

  • RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs

    John W. Raymond;Eleanor J. Gardiner;Peter Willett

  • Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures.

    Jérôme Hert;Peter Willett;David J. Wilton;Pierre Acklin

  • Identification of tertiary structure resemblance in proteins using a maximal common subgraph isomorphism algorithm.

    Helen M. Grindley;Peter J. Artymiuk;David W. Rice;Peter Willett

  • Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

    Jérôme Hert;Peter Willett;David J. Wilton;Pierre Acklin

  • A GRAPH-THEORETIC APPROACH TO THE IDENTIFICATION OF THREE-DIMENSIONAL PATTERNS OF AMINO ACID SIDE-CHAINS IN PROTEIN STRUCTURES

    Peter J. Artymiuk;Andrew R. Poirrette;Helen M. Grindley;David W. Rice

  • Use of techniques derived from graph theory to compare secondary structure motifs in proteins

    Eleanor M. Mitchell;Peter J. Artymiuk;David W. Rice;Peter Willett

  • Automatic spelling correction using a trigram similarity measure

    Richard C. Angell;George E. Freund;Peter Willett

  • The effectiveness of stemming for natural-language access to Slovene textual data

    Mirko Popovič;Peter Willett

  • A Comparison of Some Measures for the Determination of Inter‐Molecular Structural Similarity Measures of Inter‐Molecular Structural Similarity

    Peter Willett;Vivienne Winterman

  • New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching

    Jérôme Hert;Peter Willett;David J Wilton;Pierre Acklin

Frequent Co-Authors

Valerie J. Gillet
Valerie J. Gillet University of Sheffield
Peter J. Artymiuk
Peter J. Artymiuk University of Sheffield
David W. Rice
David W. Rice University of Sheffield
Frank H. Allen
Frank H. Allen University of Cambridge
Naomie Salim
Naomie Salim University of Technology Malaysia
David Bawden
David Bawden City, University of London
Peter J. Fleming
Peter J. Fleming University of Sheffield
Christopher A. Hunter
Christopher A. Hunter University of Pennsylvania
Walter Thiel
Walter Thiel Max Planck Society
Wesley D. Allen
Wesley D. Allen University of Georgia

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