Concepedia

Substructure Searching

Substructure Searching is a computational method in chemical informatics that identifies molecules containing a specified pattern of atoms and bonds by systematically comparing molecular graphs against a target substructure.

391

Publications

28.8K

Citations

1.1K

Authors

461

Institutions

Publications per year

2017–2026

64

Parents

Publications

391

New software for searching the Cambridge Structural Database and visualizing crystal structures

Ian Bruno, Jason C. Cole, Paul R. Edgington et al. · Acta Crystallographica Section B Structural Science · 2002 · 3.1K citations

, , +17

Chemical Similarity Searching

Peter Willett, John M. Barnard, Geoffrey M. Downs · Journal of Chemical Information and Computer Sciences · 1998 · 1.8K citations

, , +13

Protein–ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment

Jianyi Yang, Ambrish Roy, Yang Zhang · Bioinformatics · 2013 · 1.1K citations · Full text

, , +13

Retrieval of Crystallographically-Derived Molecular Geometry Information

Ian Bruno, Jason C. Cole, M. Kessler et al. · Journal of Chemical Information and Computer Sciences · 2004 · 975 citations

, , +17

An approach to multi-copy search in molecular replacement

Alexei A. Vagin, A. Teplyakov · Acta Crystallographica Section D Biological Crystallography · 2000 · 705 citations

, , +10

1–5 of 391

Authors

1.1K

  1. DJ
    Diane J. Cook

    Washington State University, United States

    12 publications · 1.1K citations

    12

    h-index

  2. LB
    Lawrence B. Holder

    The University of Texas at Arlington, United States

    12 publications · 984 citations

    11

    h-index

  3. PW
    Peter Willett

    University of Sheffield, United Kingdom

    8 publications · 2K citations

    8

    h-index

  4. MR
    Matthias Rarey

    Universität Hamburg, Germany

    7 publications · 785 citations

    7

    h-index

  5. HS
    H. Scsibrany

    TU Wien, Austria

    6 publications · 136 citations

    6

    h-index

1–5 of 1.1K

Institutions

461

  1. The University of Texas at Arlington

    Arlington, United States

    12 h-index

    31 publications

    2.4K citations

  2. University of Cambridge

    Cambridge, United Kingdom

    12 h-index

    21 publications

    986 citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    11 h-index

    30 publications

    1.6K citations

  4. University of Sheffield

    Sheffield, United Kingdom

    9 h-index

    24 publications

    2.8K citations

  5. Universität Hamburg

    Hamburg, Germany

    7 h-index

    20 publications

    2.3K citations

  6. The Ohio State University

    Columbus, United States

    6 h-index

    15 publications

    638 citations

  7. National Cancer Institute

    Bethesda, United States

    6 h-index

    11 publications

    539 citations

  8. University of Konstanz

    Konstanz, Germany

    6 h-index

    7 publications

    173 citations

1–8 of 461

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 35 publications · 1.3K citations

    23

    h-index

  2. 22

    h-index

  3. Journal of Cheminformatics

    13 publications · 1.3K citations

    12

    h-index

  4. Journal of Computer-Aided Molecular Design

    11 publications · 813 citations

    11

    h-index

  5. 10

    h-index

1–5