Concepedia

Chemical Structure-based Classification

Chemical Structure-Based Classification is a classification method in controlled substances science that organizes compounds according to their molecular architecture and functional groups, distinguishing it from legal, pharmacological, or schedule-based classification systems by emphasizing chemical similarity as the primary criterion.

188

Publications

15.5K

Citations

612

Authors

290

Institutions

Publications per year

2017–2026

26

Parents

Publications

188

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

Yannick Djoumbou-Feunang, Roman Eisner, Craig Knox et al. · Journal of Cheminformatics · 2016 · 1.6K citations · Full text

, , +12

Glossary of class names of organic compounds and reactivity intermediates based on structure (IUPAC Recommendations 1995)

Gerard P. Moss, P. A. S. SMITH, D. Tavernier · Pure and Applied Chemistry · 1995 · 1.2K citations · Full text

, , +11

Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds

E.S. Salmina, N. Haider, Igor V. Tetko · Molecules · 2015 · 1K citations · Full text

, , +17

Clustering a Chemical Inventory for Safety Assessment of Fragrance Ingredients: Identifying Read-Across Analogs to Address Data Gaps

M. Date, Devin O’Brien, D. Botelho et al. · Chemical Research in Toxicology · 2020 · 665 citations · Full text

, , +17

Comparison of Support Vector Machine and Artificial Neural Network Systems for Drug/Nondrug Classification

Evgeny Byvatov, Uli Fechner, Jens Sadowski et al. · Journal of Chemical Information and Computer Sciences · 2003 · 561 citations

, , +17

1–5 of 188

Authors

612

  1. JG
    Johann Gasteiger

    Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany

    6 publications · 279 citations

    6

    h-index

  2. AB
    Andreas Bender

    University of Cambridge, United Kingdom

    5 publications · 241 citations

    5

    h-index

  3. JH
    Janna Hastings

    European Bioinformatics Institute, United Kingdom

    4 publications · 1.7K citations

    4

    h-index

  4. PC
    Peter C. Jurs

    Pennsylvania State University, United States

    4 publications · 202 citations

    4

    h-index

  5. IM
    IKUO MORIGUCHI

    Kitasato University, Japan

    4 publications · 117 citations

    4

    h-index

1–5 of 612

Institutions

290

  1. Centre National de la Recherche Scientifique

    Paris, France

    7 h-index

    31 publications

    1.5K citations

  2. Lanzhou University

    Lanzhou, China

    6 h-index

    24 publications

    1.3K citations

  3. Zhejiang University

    Hangzhou, China

    4 h-index

    15 publications

    214 citations

  4. Environmental Protection Agency

    Washington, United States

    4 h-index

    8 publications

    384 citations

  5. Friedrich-Alexander-Universität Erlangen-Nürnberg

    Erlangen, Germany

    4 h-index

    11 publications

    631 citations

  6. University of Cambridge

    Cambridge, United Kingdom

    4 h-index

    21 publications

    990 citations

  7. University of Minnesota

    Minneapolis, United States

    4 h-index

    12 publications

    3.8K citations

  8. Toyohashi University of Technology

    Toyohashi, Japan

    4 h-index

    13 publications

    540 citations

1–8 of 290

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 17 publications · 1.1K citations

    17

    h-index

  2. 17

    h-index

  3. Journal of Medicinal Chemistry

    8 publications · 860 citations

    8

    h-index

  4. SAR and QSAR in environmental research

    6 publications · 161 citations

    6

    h-index

  5. 6

    h-index

1–5