Concepedia

Virtual Screening Benchmarking

Virtual Screening Benchmarking is a systematic evaluation framework used to assess and compare the performance of virtual screening methods by measuring their accuracy, efficiency, and robustness in identifying active compounds against standardized datasets and metrics.

116

Publications

9.5K

Citations

418

Authors

182

Institutions

Publications per year

2017–2026

43

Parents

Publications

116

Evaluating Virtual Screening Methods:  Good and Bad Metrics for the “Early Recognition” Problem

Jean‐François Truchon, Christopher I. Bayly · Journal of Chemical Information and Modeling · 2007 · 858 citations

, , +16

Comparative evaluation of eight docking tools for docking and virtual screening accuracy

Esther Kellenberger, Jordi Rodrigo, Pascal Müller et al. · Proteins Structure Function and Bioinformatics · 2004 · 570 citations

, , +16

Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data

Sebastian Rohrer, Knut Baumann · Journal of Chemical Information and Modeling · 2009 · 419 citations

, , +16

Comparison of Topological, Shape, and Docking Methods in Virtual Screening

Georgia B. McGaughey, Robert P. Sheridan, Christopher I. Bayly et al. · Journal of Chemical Information and Modeling · 2007 · 418 citations

, , +14

Open-source platform to benchmark fingerprints for ligand-based virtual screening

Sereina Riniker, Gregory A. Landrum · Journal of Cheminformatics · 2013 · 389 citations · Full text

, , +17

1–5 of 116

Authors

418

  1. JB
    Jürgen Bajorath

    University of Bonn, Germany

    5 publications · 147 citations

    5

    h-index

  2. JX
    Jie Xia

    Chinese Academy of Medical Sciences & Peking Union Medical College, China

    5 publications · 156 citations

    5

    h-index

  3. JK
    John Karanicolas

    University of Kansas, United States

    3 publications · 257 citations

    3

    h-index

  4. RP
    Robert P. Sheridan

    Merck & Co., Inc., Rahway, NJ, USA (United States), United States

    3 publications · 505 citations

    3

    h-index

  5. MR
    Matthias R. Bauer

    University of Tübingen, Germany

    3 publications · 250 citations

    3

    h-index

1–5 of 418

Institutions

182

  1. Peking University

    Beijing, China

    5 h-index

    20 publications

    602 citations

  2. Howard University

    Washington, United States

    5 h-index

    13 publications

    475 citations

  3. Johns Hopkins University Center for AIDS Research

    Baltimore, United States

    5 h-index

    13 publications

    475 citations

  4. University of Oxford

    Oxford, United Kingdom

    5 h-index

    16 publications

    1.1K citations

  5. University of Bonn

    Bonn, Germany

    4 h-index

    13 publications

    354 citations

  6. University of Tübingen

    Tübingen, Germany

    4 h-index

    16 publications

    1.1K citations

  7. Centre National de la Recherche Scientifique

    Paris, France

    4 h-index

    17 publications

    3.9K citations

  8. AIDS United

    Washington, United States

    4 h-index

    12 publications

    464 citations

1–8 of 182

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 49 publications · 5.5K citations

    34

    h-index

  2. Journal of Cheminformatics

    11 publications · 961 citations

    11

    h-index

  3. Journal of Computer-Aided Molecular Design

    7 publications · 287 citations

    7

    h-index

  4. Journal of Medicinal Chemistry

    4 publications · 219 citations

    4

    h-index

  5. International Journal of Molecular Sciences

    IJMS · 4 publications · 93 citations

    4

    h-index

1–5