Concepedia

Computational Hit Identification

Computational Hit Identification is a systematic approach in drug discovery that, as a distinct methodological framework, leverages computational models and algorithms to prioritize biologically active compounds from large-scale chemical or biological datasets based on specific molecular interaction criteria and target engagement predictions.

95

Publications

4.2K

Citations

639

Authors

246

Institutions

Publications per year

2017–2026

55

Parents

Publications

95

Virtual Screening Using Protein−Ligand Docking:  Avoiding Artificial Enrichment

Marcel L. Verdonk, Valério Berdini, Michael J. Hartshorn et al. · Journal of Chemical Information and Computer Sciences · 2004 · 378 citations

, , +14

AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor

Feng Ren, Xiao Ding, Min Zheng et al. · Chemical Science · 2023 · 326 citations · Full text

, , +8

Combining Hit Identification Strategies: Fragment-Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-<i>d</i>]pyrimidine Inhibitors of the Hsp90 Molecular Chaperone

Paul A. Brough, Xavier Barril, Jenifer Borgognoni et al. · Journal of Medicinal Chemistry · 2009 · 173 citations · Full text

, , +17

Large-scale microfluidics providing high-resolution and high-throughput screening of Caenorhabditis elegans poly-glutamine aggregation model

Sudip Mondal, Evan Hegarty, Chris Martin et al. · Nature Communications · 2016 · 128 citations · Full text

, , +14

Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance

Ludovic Chaput, Juan Martinez‐Sanz, Nicolas Saettel et al. · Journal of Cheminformatics · 2016 · 124 citations · Full text

, , +17

1–5 of 95

Authors

639

  1. JB
    Jürgen Bajorath

    University of Bonn, Germany

    5 publications · 198 citations

    5

    h-index

  2. RA
    Robert Abel

    Schrodinger (United States), United States

    4 publications · 198 citations

    4

    h-index

  3. DS
    Dagmar Stumpfe

    University of Bonn, Germany

    3 publications · 160 citations

    3

    h-index

  4. JX
    Jie Xia

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

    3 publications · 39 citations

    3

    h-index

  5. SW
    Song Wu

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

    3 publications · 39 citations

    3

    h-index

1–5 of 639

Institutions

246

  1. University of Bonn

    Bonn, Germany

    5 h-index

    10 publications

    352 citations

  2. Schrodinger (United States)

    New York, United States

    4 h-index

    21 publications

    1.4K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    3 h-index

    10 publications

    644 citations

  4. Johns Hopkins University Center for AIDS Research

    Baltimore, United States

    3 h-index

    3 publications

    39 citations

  5. Magna Graecia University

    Catanzaro, Italy

    3 h-index

    19 publications

    474 citations

  6. Bayer (Germany)

    Leverkusen, Germany

    3 h-index

    12 publications

    1.1K citations

  7. AstraZeneca (Sweden)

    Södertälje, Sweden

    3 h-index

    8 publications

    272 citations

  8. Howard University

    Washington, United States

    3 h-index

    3 publications

    39 citations

1–8 of 246

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 16 publications · 572 citations

    13

    h-index

  2. Journal of Medicinal Chemistry

    7 publications · 384 citations

    7

    h-index

  3. ChemMedChem

    5 publications · 216 citations

    5

    h-index

  4. Journal of Cheminformatics

    4 publications · 202 citations

    4

    h-index

  5. Molecules

    3 publications · 134 citations

    3

    h-index

1–5