Concepedia

Computational Toxicology

Computational Toxicology is a scientific discipline within computational medicinal chemistry that employs computational methods to predict the potential of chemical substances to cause adverse effects in biological systems, distinguishing it from related fields by its focus on hazard identification and mechanistic modeling of toxicity endpoints.

1.9K

Publications

102.8K

Citations

6.2K

Authors

1.8K

Institutions

Publications per year

2017–2026

884

Parents

Children

Publications

1.9K

ProTox-II: a webserver for the prediction of toxicity of chemicals

Priyanka Banerjee, Andreas Eckert, Anna K. Schrey · Nucleic Acids Research · 2018 · 3.1K citations · Full text

, , +14

In Silico Approach for Predicting Toxicity of Peptides and Proteins

Sudheer Gupta, Pallavi Kapoor, Kumardeep Chaudhary et al. · PLoS ONE · 2013 · 2K citations · Full text

, , +16

Toxicity Testing in the 21st Century: A Vision and a Strategy

Daniel Krewski, Daniel Acosta, Melvin E. Andersen et al. · Journal of Toxicology and Environmental Health Part B · 2010 · 1.7K citations · Full text

, , +17

CAESAR models for developmental toxicity

Antonio Cassano, Alberto Manganaro, Todd M. Martin et al. · Chemistry Central Journal · 2010 · 1.6K citations · Full text

, , +10

ProTox 3.0: a webserver for the prediction of toxicity of chemicals

Priyanka Banerjee, Emanuel Kemmler, Mathias Dunkel · Nucleic Acids Research · 2024 · 1.3K citations · Full text

, , +17

1–5 of 1.9K

Authors

6.2K

  1. EB
    Emilio Benfenati

    Mario Negri Institute for Pharmacological Research, Italy

    83 publications · 5.2K citations

    35

    h-index

  2. MC
    M Cronin

    Liverpool John Moores University, United Kingdom

    57 publications · 2.5K citations

    33

    h-index

  3. KR
    Kunal Roy

    Jadavpur University, India

    39 publications · 1.8K citations

    27

    h-index

  4. YT
    Yun Tang

    East China University of Science and Technology, China

    27 publications · 1.8K citations

    23

    h-index

  5. WL
    Weihua Li

    East China University of Science and Technology, China

    26 publications · 1.6K citations

    22

    h-index

1–5 of 6.2K

Institutions

1.8K

  1. Environmental Protection Agency

    Washington, United States

    53 h-index

    360 publications

    47.5K citations

  2. Research Triangle Park Foundation

    Durham, United States

    43 h-index

    255 publications

    34.8K citations

  3. Mario Negri Institute for Pharmacological Research

    Milan, Italy

    36 h-index

    278 publications

    17K citations

  4. Liverpool John Moores University

    Liverpool, United Kingdom

    33 h-index

    162 publications

    6.7K citations

  5. National Institute of Environmental Health Sciences

    Durham, United States

    31 h-index

    104 publications

    8.4K citations

  6. University of North Carolina at Chapel Hill

    Chapel Hill, United States

    30 h-index

    141 publications

    16.4K citations

  7. United States Food and Drug Administration

    Silver Spring, United States

    26 h-index

    107 publications

    6K citations

  8. Jadavpur University

    Kolkata, India

    26 h-index

    80 publications

    3.7K citations

1–8 of 1.8K

Venues

  1. Chemical Research in Toxicology

    97 publications · 5.2K citations

    42

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 82 publications · 6K citations

    40

    h-index

  3. SAR and QSAR in environmental research

    116 publications · 4K citations

    35

    h-index

  4. Environmental Science & Technology

    46 publications · 3.1K citations

    34

    h-index

  5. Chemosphere

    60 publications · 2.1K citations

    28

    h-index

1–5