Concepedia

Substructure Similarity

Substructure Similarity is a molecular similarity measure that quantifies the extent to which one molecule contains a structural motif or fragment common to another, distinguished by its focus on partial graph matching rather than whole-molecule comparison.

108

Publications

9.2K

Citations

409

Authors

177

Institutions

Publications per year

2017–2026

29

Parents

Publications

108

Chemical Similarity Searching

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

, , +13

ZINC20—A Free Ultralarge-Scale Chemical Database for Ligand Discovery

John J. Irwin, Khanh Tang, Jennifer J. Young et al. · Journal of Chemical Information and Modeling · 2020 · 1K citations · Full text

, , +17

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

Egon Willighagen, John W. Mayfield, Jonathan Alvarsson et al. · Journal of Cheminformatics · 2017 · 587 citations · Full text

, , +17

Substructure Discovery Using Minimum Description Length and Background Knowledge

Diane J. Cook, Lawrence B. Holder · Journal of Artificial Intelligence Research · 1994 · 481 citations · Full text

, , +16

Threading a database of protein cores

Thomas Madej, Jean‐François Gibrat, Stephen H. Bryant · Proteins Structure Function and Bioinformatics · 1995 · 446 citations

, , +16

1–5 of 108

Authors

409

  1. PW
    Peter Willett

    University of Sheffield, United Kingdom

    9 publications · 2.5K citations

    9

    h-index

  2. JB
    Jürgen Bajorath

    University of Bonn, Germany

    4 publications · 155 citations

    4

    h-index

  3. HS
    H. Scsibrany

    TU Wien, Austria

    3 publications · 54 citations

    3

    h-index

  4. DB
    Douglas B. Kell

    University of Manchester, United Kingdom

    2 publications · 51 citations

    2

    h-index

  5. WD
    W. Demuth

    TU Wien, Austria

    2 publications · 36 citations

    2

    h-index

1–5 of 409

Institutions

177

  1. University of Sheffield

    Sheffield, United Kingdom

    8 h-index

    20 publications

    4.1K citations

  2. Chinese Academy of Sciences

    Beijing, China

    4 h-index

    25 publications

    1.1K citations

  3. University of Bonn

    Bonn, Germany

    4 h-index

    13 publications

    543 citations

  4. Ben-Gurion University of the Negev

    Beersheba, Israel

    3 h-index

    3 publications

    96 citations

  5. University of Manchester

    Manchester, United Kingdom

    3 h-index

    4 publications

    133 citations

  6. Uppsala University

    Uppsala, Sweden

    3 h-index

    7 publications

    2K citations

  7. Shanghai Institute of Materia Medica

    Pudong, China

    3 h-index

    15 publications

    281 citations

  8. University of Saskatchewan

    Saskatoon, Canada

    2 h-index

    2 publications

    43 citations

1–8 of 177

Venues

  1. 11

    h-index

  2. Journal of Cheminformatics

    8 publications · 839 citations

    8

    h-index

  3. Journal of Chemical Information and Modeling

    JCIM · 7 publications · 1.2K citations

    7

    h-index

  4. Bioinformatics

    5 publications · 418 citations

    5

    h-index

  5. Journal of Medicinal Chemistry

    4 publications · 258 citations

    4

    h-index

1–5