Concepedia

Computational Polypharmacology

Computational Polypharmacology is a computational discipline that systematically models and predicts the interactions between pharmaceutical compounds and multiple biological targets simultaneously, integrating chemoinformatics and systems biology to elucidate drug action mechanisms beyond single-target paradigms.

93

Publications

6.4K

Citations

523

Authors

234

Institutions

Publications per year

2017–2026

52

Parents

Publications

93

Automated design of ligands to polypharmacological profiles

Jérémy Besnard, G.F. Ruda, Vincent Setola et al. · Nature · 2012 · 845 citations · Full text

, , +14

Polypharmacology by Design: A Medicinal Chemist’s Perspective on Multitargeting Compounds

Ewgenij Proschak, Holger Stark, Daniel Merk · Journal of Medicinal Chemistry · 2018 · 476 citations · Full text

, , +16

Enhancing the Enrichment of Pharmacophore-Based Target Prediction for the Polypharmacological Profiles of Drugs

Xia Wang, Chenxu Pan, Jiayu Gong et al. · Journal of Chemical Information and Modeling · 2016 · 285 citations

, , +15

Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

Daniel Reker, Tiago Rodrigues, Petra Schneider et al. · Proceedings of the National Academy of Sciences · 2014 · 231 citations · Full text

, , +12

AlzPlatform: An Alzheimer’s Disease Domain-Specific Chemogenomics Knowledgebase for Polypharmacology and Target Identification Research

Haibin Liu, Lirong Wang, Mingliang Lv et al. · Journal of Chemical Information and Modeling · 2014 · 229 citations · Full text

, , +17

1–5 of 93

Authors

523

  1. GS
    Gisbert Schneider

    ETH Zurich, Switzerland

    6 publications · 492 citations

    6

    h-index

  2. JB
    Jürgen Bajorath

    University of Bonn, Germany

    5 publications · 148 citations

    5

    h-index

  3. JR
    Jean‐Louis Reymond

    University of Bern, Switzerland

    4 publications · 453 citations

    4

    h-index

  4. PS
    Petra Schneider

    ETH Zurich, Switzerland

    4 publications · 415 citations

    4

    h-index

  5. HJ
    Hualiang Jiang

    Shanghai Institute of Materia Medica, China

    4 publications · 380 citations

    4

    h-index

1–5 of 523

Institutions

234

  1. University of North Carolina at Chapel Hill

    Chapel Hill, United States

    5 h-index

    23 publications

    4K citations

  2. ETH Zurich

    Zurich, Switzerland

    5 h-index

    12 publications

    925 citations

  3. University of Bonn

    Bonn, Germany

    5 h-index

    10 publications

    324 citations

  4. Chinese Academy of Sciences

    Beijing, China

    4 h-index

    38 publications

    2.7K citations

  5. University of Helsinki

    Helsinki, Finland

    4 h-index

    20 publications

    1.2K citations

  6. University of Bern

    Bern, Switzerland

    4 h-index

    7 publications

    783 citations

  7. École Polytechnique Fédérale de Lausanne

    Lausanne, Switzerland

    4 h-index

    11 publications

    2K citations

  8. Shanghai Institute of Materia Medica

    Pudong, China

    4 h-index

    38 publications

    2.7K citations

1–8 of 234

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 10 publications · 1.1K citations

    10

    h-index

  2. Bioinformatics

    5 publications · 318 citations

    5

    h-index

  3. PLoS Computational Biology

    5 publications · 346 citations

    5

    h-index

  4. Journal of Medicinal Chemistry

    3 publications · 653 citations

    3

    h-index

  5. Angewandte Chemie International Edition

    3 publications · 186 citations

    3

    h-index

1–5