Concepedia

Substructure Screening

Substructure Screening is a virtual screening method that identifies molecules containing a specific molecular substructure pattern by searching compound databases for exact matches or superstructures of a defined query scaffold.

68

Publications

5.8K

Citations

287

Authors

115

Institutions

Publications per year

2017–2026

17

Variants

Substructure Searching

Parents

Publications

68

Derivation and Validation of Toxicophores for Mutagenicity Prediction

Jeroen Kazius, Ross McGuire, Roberta Bursi · Journal of Medicinal Chemistry · 2004 · 656 citations

, , +12

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

New 4-Point Pharmacophore Method for Molecular Similarity and Diversity Applications:  Overview of the Method and Applications, Including a Novel Approach to the Design of Combinatorial Libraries Containing Privileged Substructures

Jonathan Mason, Isabelle Morize, Paul R. Menard et al. · Journal of Medicinal Chemistry · 1999 · 376 citations · Full text

, , +17

Efficient Substructure Discovery from Large Semi-structured Data

Tatsuya Asai, Kenji Abe, Shinji Kawasoe et al. · 2002 · 364 citations

, , +14

Heteroaromatic Rings of the Future

William R. Pitt, David M. Parry, Benjamin Perry et al. · Journal of Medicinal Chemistry · 2009 · 336 citations

, , +14

1–5 of 68

Authors

287

  1. GL
    Guixia Liu

    East China University of Science and Technology, China

    3 publications · 196 citations

    3

    h-index

  2. WL
    Weihua Li

    East China University of Science and Technology, China

    3 publications · 196 citations

    3

    h-index

  3. SK
    Shinji Kawasoe

    Kyushu University, Japan

    3 publications · 584 citations

    3

    h-index

  4. HA
    Hiroki Arimura

    Hokkaido University, Japan

    3 publications · 584 citations

    3

    h-index

  5. SA
    Setsuo Arikawa

    Kyushu University, Japan

    3 publications · 584 citations

    3

    h-index

1–5 of 287

Institutions

115

  1. Kyushu University

    Fukuoka, Japan

    3 h-index

    11 publications

    956 citations

  2. East China University of Science and Technology

    Shanghai, China

    3 h-index

    17 publications

    1.2K citations

  3. Friedrich-Alexander-Universität Erlangen-Nürnberg

    Erlangen, Germany

    2 h-index

    5 publications

    85 citations

  4. City University of New York

    New York, United States

    2 h-index

    5 publications

    159 citations

  5. Washington University in St. Louis

    St Louis, United States

    2 h-index

    5 publications

    165 citations

  6. University of New Mexico

    Albuquerque, United States

    2 h-index

    20 publications

    1.4K citations

  7. Icahn School of Medicine at Mount Sinai

    New York, United States

    2 h-index

    5 publications

    159 citations

  8. IDEAconsult

    Sofia, Bulgaria

    2 h-index

    2 publications

    622 citations

1–8 of 115

Venues

  1. Journal of Medicinal Chemistry

    6 publications · 1.6K citations

    6

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 5 publications · 263 citations

    5

    h-index

  3. Journal of Cheminformatics

    4 publications · 749 citations

    4

    h-index

  4. 4

    h-index

  5. Molecular Informatics

    3 publications · 154 citations

    3

    h-index

1–5