Concepedia

Cheminformatics Modeling

Cheminformatics Modeling is a computational methodology within cheminformatics that employs mathematical and statistical techniques to represent, analyze, and predict the chemical and biological properties of molecules based on their structural features, specifically supporting ligand-based drug design through ligand-centric data-driven models.

1.3K

Publications

122.6K

Citations

4.4K

Authors

1.4K

Institutions

Publications per year

2017–2026

627

Parents

Publications

1.3K

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

Open Babel: An open chemical toolbox

Noel M. O’Boyle, Michael Banck, Craig A. James et al. · Journal of Cheminformatics · 2011 · 11.1K citations · Full text

, , +9

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher · Journal of Medicinal Chemistry · 2015 · 5.4K citations · Full text

, , +17

WHAT IF: A molecular modeling and drug design program

Gert Vriend · Journal of Molecular Graphics · 1990 · 3.5K citations

, , +14

ACPYPE - AnteChamber PYthon Parser interfacE

Alan Sousa da Silva, Wim Vranken · BMC Research Notes · 2012 · 3.1K citations · Full text

, , +16

1–5 of 1.3K

Authors

4.4K

  1. AT
    Alexander Tropsha

    University of North Carolina at Chapel Hill, United States

    18 publications · 4.6K citations

    17

    h-index

  2. DF
    Denis Fourches

    North Carolina State University, United States

    18 publications · 4.2K citations

    15

    h-index

  3. AB
    Andreas Bender

    University of Cambridge, United Kingdom

    15 publications · 1.5K citations

    15

    h-index

  4. MN
    M. Natália D. S. Cordeiro

    Universidade do Porto, Portugal

    15 publications · 695 citations

    15

    h-index

  5. JB
    Jürgen Bajorath

    University of Bonn, Germany

    13 publications · 362 citations

    13

    h-index

1–5 of 4.4K

Institutions

1.4K

  1. University of Cambridge

    Cambridge, United Kingdom

    22 h-index

    48 publications

    22K citations

  2. Rede de Química e Tecnologia

    Porto, Portugal

    17 h-index

    35 publications

    2.4K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    17 h-index

    48 publications

    3.7K citations

  4. University of North Carolina at Chapel Hill

    Chapel Hill, United States

    16 h-index

    80 publications

    16.2K citations

  5. AstraZeneca (Sweden)

    Södertälje, Sweden

    16 h-index

    58 publications

    4.6K citations

  6. Ahmadu Bello University

    Zaria, Nigeria

    14 h-index

    64 publications

    1.6K citations

  7. Universidade do Porto

    Porto, Portugal

    14 h-index

    33 publications

    1.8K citations

  8. King Saud University

    Riyadh, Saudi Arabia

    14 h-index

    20 publications

    654 citations

1–8 of 1.4K

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 114 publications · 10.1K citations

    45

    h-index

  2. Journal of Cheminformatics

    58 publications · 17.8K citations

    36

    h-index

  3. Journal of Medicinal Chemistry

    31 publications · 10.1K citations

    27

    h-index

  4. 21

    h-index

  5. Journal of Computer-Aided Molecular Design

    27 publications · 5.5K citations

    20

    h-index

1–5