Concepedia

Computational Screening

Computational Screening is a computational method that systematically evaluates large libraries of chemical or biological entities to identify promising candidates for experimental validation in drug discovery, distinguished from other hit identification approaches by its reliance on in silico simulations and predictive modeling rather than physical experimentation.

1.8K

Publications

98.2K

Citations

9.5K

Authors

2.4K

Institutions

Publications per year

2017–2026

1.1K

Variants

In Silico ScreeningVirtual Screening

Parents

Publications

1.8K

QSAR Modeling: Where Have You Been? Where Are You Going To?

Artem Cherkasov, Eugene Muratov, Denis Fourches et al. · Journal of Medicinal Chemistry · 2013 · 2.1K citations

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Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution

Zhi Wei Seh, Kurt Fredrickson, Babak Anasori et al. · ACS Energy Letters · 2016 · 1.5K citations

, , +17

Lead-free germanium iodide perovskite materials for photovoltaic applications

Krishnamoorthy Thirumal, Hong Ding, Yan Chen et al. · Journal of Materials Chemistry A · 2015 · 1.1K citations · Full text

, , +15

Discovery and Preclinical Validation of Drug Indications Using Compendia of Public Gene Expression Data

Marina Sirota, Joel T. Dudley, Jeewon Kim et al. · Science Translational Medicine · 2011 · 834 citations

, , +17

Do Structurally Similar Molecules Have Similar Biological Activity?

Yvonne C. Martin, James L. Kofron, Linda Traphagen · Journal of Medicinal Chemistry · 2002 · 829 citations

, , +17

1–5 of 1.8K

Authors

9.5K

  1. SK
    Seda Keskın

    Koç University, Türkiye

    18 publications · 1.3K citations

    16

    h-index

  2. RQ
    Randall Q. Snurr

    Northwestern University, United States

    16 publications · 1.7K citations

    16

    h-index

  3. JB
    Jürgen Bajorath

    University of Bonn, Germany

    18 publications · 539 citations

    15

    h-index

  4. SE
    Sean Ekins

    Collaborations Pharmaceuticals (United States), United States

    15 publications · 1.2K citations

    15

    h-index

  5. AT
    Alexander Tropsha

    University of North Carolina at Chapel Hill, United States

    13 publications · 4K citations

    12

    h-index

1–5 of 9.5K

Institutions

2.4K

  1. Chinese Academy of Sciences

    Beijing, China

    22 h-index

    29 publications

    1.5K citations

  2. Northwestern University

    Evanston, United States

    20 h-index

    22 publications

    2.2K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    20 h-index

    29 publications

    1.4K citations

  4. University of North Carolina at Chapel Hill

    Chapel Hill, United States

    19 h-index

    23 publications

    5.3K citations

  5. National University of Singapore

    Singapore, Singapore

    18 h-index

    22 publications

    1.5K citations

  6. Technical University of Denmark

    Kongens Lyngby, Denmark

    18 h-index

    18 publications

    2.6K citations

  7. University of California, Berkeley

    Berkeley, United States

    18 h-index

    19 publications

    3.3K citations

  8. Koç University

    Istanbul, Türkiye

    17 h-index

    20 publications

    1.3K citations

1–8 of 2.4K

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 136 publications · 7.2K citations

    49

    h-index

  2. Journal of Medicinal Chemistry

    39 publications · 6.5K citations

    30

    h-index

  3. The Journal of Physical Chemistry C

    40 publications · 2.1K citations

    26

    h-index

  4. PLoS ONE

    37 publications · 1.4K citations

    23

    h-index

  5. Scientific Reports

    39 publications · 1.8K citations

    22

    h-index

1–5