Concepedia

Virtual Screening Validation

Virtual Screening Validation is a methodological process that assesses the accuracy, reliability, and predictive power of virtual screening protocols by comparing computationally prioritized compound rankings against experimentally determined bioactive molecules to ensure the identification of true positives while minimizing false positives.

1.5K

Publications

63.5K

Citations

7.8K

Authors

2K

Institutions

Publications per year

2017–2026

742

Variants

Virtual Screening Performance Evaluation

Parents

Publications

1.5K

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

Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase

Kirk E. Hevener, Wei Zhao, David M. Ball et al. · Journal of Chemical Information and Modeling · 2009 · 636 citations

, , +17

Virtual Screening Workflow Development Guided by the “Receiver Operating Characteristic” Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4

Nicolas Triballeau, Francine Acher, Isabelle Brabet et al. · Journal of Medicinal Chemistry · 2005 · 621 citations · Full text

, , +13

Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring

Huiyong Sun, Youyong Li, Mingyun Shen et al. · Physical Chemistry Chemical Physics · 2014 · 530 citations

, , +16

Comparative Assessment of Scoring Functions on a Diverse Test Set

Tiejun Cheng, Xun Li, Yan Li et al. · Journal of Chemical Information and Modeling · 2009 · 525 citations

, , +16

1–5 of 1.5K

Authors

7.8K

  1. DS
    Daniela Schuster

    Universität Innsbruck, Austria

    12 publications · 490 citations

    12

    h-index

  2. AT
    Alexander Tropsha

    University of North Carolina at Chapel Hill, United States

    10 publications · 776 citations

    10

    h-index

  3. HJ
    Hualiang Jiang

    Shanghai Institute of Materia Medica, China

    10 publications · 741 citations

    10

    h-index

  4. SY
    Shengyong Yang

    Sichuan University, China

    10 publications · 248 citations

    10

    h-index

  5. AP
    Antti Poso

    University of Eastern Finland, Finland

    9 publications · 391 citations

    9

    h-index

1–5 of 7.8K

Institutions

2K

  1. Chinese Academy of Sciences

    Beijing, China

    27 h-index

    214 publications

    12.1K citations

  2. Shanghai Institute of Materia Medica

    Pudong, China

    23 h-index

    174 publications

    9.4K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    20 h-index

    171 publications

    10.6K citations

  4. China Pharmaceutical University

    Nanjing, China

    17 h-index

    145 publications

    5.3K citations

  5. Inserm

    Paris, France

    17 h-index

    64 publications

    3.3K citations

  6. Zhejiang University

    Hangzhou, China

    17 h-index

    112 publications

    7.6K citations

  7. Sichuan University

    Chengdu, China

    16 h-index

    121 publications

    3.5K citations

  8. University of California San Diego

    San Diego, United States

    16 h-index

    46 publications

    2.9K citations

1–8 of 2K

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 135 publications · 11K citations

    50

    h-index

  2. Journal of Medicinal Chemistry

    80 publications · 5.9K citations

    46

    h-index

  3. Bioorganic & Medicinal Chemistry Letters

    56 publications · 1.7K citations

    26

    h-index

  4. Journal of Biomolecular Structure and Dynamics

    63 publications · 1.9K citations

    26

    h-index

  5. Journal of Computer-Aided Molecular Design

    45 publications · 1.7K citations

    25

    h-index

1–5