Concepedia

Molecular Descriptor Databases

Molecular Descriptor Databases is a chemogenomics resource that systematically organizes computed or experimentally derived molecular descriptors to enable the quantitative characterization of chemical structures for use in predictive modeling and structure-activity relationship studies.

109

Publications

12.5K

Citations

513

Authors

212

Institutions

Publications per year

2017–2026

38

Parents

Publications

109

ZINC: A Free Tool to Discover Chemistry for Biology

John J. Irwin, Teague Sterling, Michael M. Mysinger et al. · Journal of Chemical Information and Modeling · 2012 · 2.6K citations · Full text

, , +15

COMPASS II: extended coverage for polymer and drug-like molecule databases

Huai Sun, Zhao Jin, Chunwei Yang et al. · Journal of Molecular Modeling · 2016 · 996 citations

, , +14

PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules

Daan M. F. van Aalten, R. P. Bywater, J. B. C. Findlay et al. · Journal of Computer-Aided Molecular Design · 1996 · 718 citations

, , +16

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Iurii Sushko, Sergii Novotarskyi, Robert Körner et al. · Journal of Computer-Aided Molecular Design · 2011 · 687 citations · Full text

, , +16

CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends

Andrew J. Medford, Chuan Shi, Max J. Hoffmann et al. · Catalysis Letters · 2015 · 502 citations

, , +15

1–5 of 109

Authors

513

  1. AB
    Andreas Bender

    University of Cambridge, United Kingdom

    4 publications · 777 citations

    4

    h-index

  2. RG
    Rajarshi Guha

    National Center for Advancing Translational Sciences, United States

    3 publications · 359 citations

    3

    h-index

  3. AV
    Alexandre Varnek

    Université de Strasbourg, France

    3 publications · 728 citations

    3

    h-index

  4. JB
    Jürgen Bajorath

    University of Bonn, Germany

    3 publications · 370 citations

    3

    h-index

  5. GM
    Gilles Marcou

    Université de Strasbourg, France

    3 publications · 728 citations

    3

    h-index

1–5 of 513

Institutions

212

  1. University of Cambridge

    Cambridge, United Kingdom

    5 h-index

    7 publications

    900 citations

  2. University of Washington

    Seattle, United States

    3 h-index

    7 publications

    446 citations

  3. Rede de Química e Tecnologia

    Porto, Portugal

    3 h-index

    7 publications

    1K citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    3 h-index

    15 publications

    2.1K citations

  5. Indium Corporation (United States)

    Clinton, United States

    3 h-index

    6 publications

    604 citations

  6. Helmholtz Centre for Environmental Research

    Leipzig, Germany

    2 h-index

    5 publications

    657 citations

  7. Imperial College London

    London, United Kingdom

    2 h-index

    3 publications

    614 citations

  8. University of Catania

    Catania, Italy

    2 h-index

    18 publications

    620 citations

1–8 of 212

Venues

  1. 10

    h-index

  2. Journal of Cheminformatics

    8 publications · 429 citations

    8

    h-index

  3. Journal of Medicinal Chemistry

    4 publications · 486 citations

    4

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 4 publications · 2.8K citations

    4

    h-index

  5. Bioinformatics

    4 publications · 633 citations

    4

    h-index

1–5