Concepedia

Predictive Modeling Of Bioactivity

Predictive Modeling of Bioactivity is a computational approach within quantitative structure-activity relationship studies that employs mathematical models to forecast the biological activity of chemical compounds based on their molecular structure.

1K

Publications

53.1K

Citations

3.2K

Authors

1K

Institutions

Publications per year

2017–2026

301

Parents

Publications

1K

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

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

, , +16

admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties

Hongbin Yang, Chaofeng Lou, Lixia Sun et al. · Bioinformatics · 2018 · 1.4K citations

, , +16

Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource

Dmitry Filimonov, Alexey A. Lagunin, Tatyana A. Gloriozova et al. · Chemistry of Heterocyclic Compounds · 2014 · 1.3K citations

, , +15

PASS: prediction of activity spectra for biologically active substances

Alexey A. Lagunin, Alla Stepanchikova, Vladimir Poroikov · Bioinformatics · 2000 · 1.1K citations · Full text

, , +15

1–5 of 1K

Authors

3.2K

  1. KR
    Kunal Roy

    Jadavpur University, India

    21 publications · 2.2K citations

    18

    h-index

  2. VP
    Vladimir Poroikov

    Institute of Biomedical Chemistry, Russia

    18 publications · 3.7K citations

    16

    h-index

  3. DF
    Dmitry Filimonov

    Institute of Biomedical Chemistry, Russia

    15 publications · 2.2K citations

    14

    h-index

  4. JB
    Jürgen Bajorath

    University of Bonn, Germany

    16 publications · 929 citations

    14

    h-index

  5. AA
    Alexey A. Lagunin

    Institute of Biomedical Chemistry, Russia

    13 publications · 3.5K citations

    13

    h-index

1–5 of 3.2K

Institutions

1K

  1. Jadavpur University

    Kolkata, India

    18 h-index

    57 publications

    7.3K citations

  2. Mario Negri Institute for Pharmacological Research

    Milan, Italy

    16 h-index

    52 publications

    3.4K citations

  3. Institute of Biomedical Chemistry

    Moscow, Russia

    16 h-index

    79 publications

    14.5K citations

  4. Mahidol University

    Bangkok, Thailand

    15 h-index

    61 publications

    2.4K citations

  5. University of Bonn

    Bonn, Germany

    15 h-index

    39 publications

    2.1K citations

  6. Liverpool John Moores University

    Liverpool, United Kingdom

    13 h-index

    31 publications

    5.8K citations

  7. Centre National de la Recherche Scientifique

    Paris, France

    13 h-index

    36 publications

    3.4K citations

  8. Rede de Química e Tecnologia

    Porto, Portugal

    12 h-index

    28 publications

    945 citations

1–8 of 1K

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 72 publications · 4.2K citations

    40

    h-index

  2. 28

    h-index

  3. SAR and QSAR in environmental research

    47 publications · 1.5K citations

    25

    h-index

  4. Journal of Medicinal Chemistry

    28 publications · 4.7K citations

    24

    h-index

  5. Journal of Cheminformatics

    17 publications · 1.5K citations

    17

    h-index

1–5