Concepedia

Model Predictivity Assessment

Model Predictivity Assessment is a methodological framework used in pharmacophore validation to evaluate the accuracy and generalizability of a pharmacophore model in predicting the biological activity of unseen compounds by assessing its performance on external test sets or cross-validation metrics.

527

Publications

82.6K

Citations

1.9K

Authors

696

Institutions

Publications per year

2017–2026

168

Parents

Publications

527

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Antoine Daina, Olivier Michielin, Vincent Zoete · Scientific Reports · 2017 · 17.1K citations · Full text

, , +16

Building Predictive Models in <i>R</i> Using the <b>caret</b> Package

Max Kühn · Journal of Statistical Software · 2008 · 9.3K citations · Full text

, , +15

Approximately normal tests for equal predictive accuracy in nested models

Todd E. Clark, Kenneth D. West · Journal of Econometrics · 2006 · 2.4K citations

, , +13

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

Alexander Tropsha, Paola Gramatica, Vijay K. Gombar · QSAR & Combinatorial Science · 2003 · 2.2K citations

, , +16

Principles of QSAR models validation: internal and external

Paola Gramatica · QSAR & Combinatorial Science · 2007 · 2.2K citations · Full text

, , +13

1–5 of 527

Authors

1.9K

  1. KR
    Kunal Roy

    Jadavpur University, India

    20 publications · 4.5K citations

    18

    h-index

  2. UN
    Ulf Norinder

    AstraZeneca (Sweden), Sweden

    13 publications · 668 citations

    13

    h-index

  3. PG
    Paola Gramatica

    University of Insubria, Italy

    12 publications · 7.6K citations

    12

    h-index

  4. IM
    Indrani Mitra

    Jadavpur University, India

    9 publications · 2.3K citations

    9

    h-index

  5. AB
    Andreas Bender

    University of Cambridge, United Kingdom

    9 publications · 688 citations

    9

    h-index

1–5 of 1.9K

Institutions

696

  1. Jadavpur University

    Kolkata, India

    18 h-index

    63 publications

    16.4K citations

  2. Uppsala University

    Uppsala, Sweden

    14 h-index

    32 publications

    1.3K citations

  3. University of Insubria

    Varese, Italy

    12 h-index

    28 publications

    13.3K citations

  4. University of Cambridge

    Cambridge, United Kingdom

    11 h-index

    24 publications

    3.4K citations

  5. AstraZeneca (Sweden)

    Södertälje, Sweden

    11 h-index

    30 publications

    1.9K citations

  6. Environmental Protection Agency

    Washington, United States

    11 h-index

    38 publications

    4K citations

  7. University of Vienna

    Vienna, Austria

    9 h-index

    21 publications

    957 citations

  8. United States Food and Drug Administration

    Silver Spring, United States

    9 h-index

    47 publications

    4.2K citations

1–8 of 696

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 53 publications · 7.1K citations

    35

    h-index

  2. SAR and QSAR in environmental research

    22 publications · 666 citations

    18

    h-index

  3. Journal of Chemometrics

    16 publications · 2.6K citations

    15

    h-index

  4. Molecular Pharmaceutics

    13 publications · 762 citations

    13

    h-index

  5. Journal of Medicinal Chemistry

    12 publications · 870 citations

    12

    h-index

1–5