CT

Computational Toxicology

Computational Toxicology is an international journal publishing computational approaches that assist in the toxicological evaluation of new and existing chemical substances and their safety assessment. Its scope includes human health and environmental toxicity and fate, prediction of toxicity and metabolism, development of models such as read-across, (Q)SARs, PBPK, QIVIVE, and multi-scale models, big data in toxicology, implementation through AOPs, IATA, and TTC, regulatory acceptance of models, and applications across substances including metals, organic molecules, nanoparticles, pharmaceuticals, pesticides, foods, cosmetics, and fine chemicals.

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Subject Toxicology
Impact Factor 2.9
Quartile Q2
Open Access Type Hybrid
ISSN 2468-1113
eISSN 2468-1113
Invitation Only No
Cost Range USD 4080 excl. taxes for open access publication; no open access publication fee for subscription publication.

Submission Instructions

Computational Toxicology accepts the following article types. Click on an article type to view submission instructions.

Papers Reporting Results Of Original Mechanistic Research

Cover Letter A declaration of competing interests document must be uploaded during submission, and any use of generative AI in manuscript preparation must be declared upon submission.
Abstract A concise, factual abstract is required. Abstract must not exceed 250 words.
Manuscript Manuscript should be divided into clearly defined and numbered sections, with the abstract excluded from section numbering and acknowledgements placed in a separate section immediately before the references. Manuscript must include 1 to 7 English keywords, article highlights of 3 to 5 bullet points submitted as a separate editable file, CRediT author contribution acknowledgements, and a declaration of generative AI use if applicable.
References References must be cited in the text using numbers in square brackets and listed in the order of appearance. References may be submitted in any consistent style but must include the required bibliographic details, and journal names in the reference list must be abbreviated according to the List of Title Word Abbreviations.
Figures & Tables Tables must be included as editable text and figures must be uploaded as separate files, and all tables and figures must be cited in the manuscript text. Tables must be numbered consecutively and include captions with notes below the table body, and each figure must be submitted as a separate file with a caption.
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Review Articles

Cover Letter Cover Letter requirements are not specified.
Abstract A concise and factual abstract is required. Abstract must not exceed 250 words.
Manuscript Manuscript should be divided into clearly defined and numbered sections. The submission must include 1 to 7 keywords, 3 to 5 article highlights in a separate editable file, and declarations including competing interests, funding, CRediT contributions, and any generative AI use in manuscript preparation.
References References may be in any consistent style at submission, with in-text citations indicated by numbers in square brackets. References must be numbered in the order they appear in the article and include author names, source title information, year, volume, and article numbers or pagination where applicable.
Figures & Tables Figures and other artwork must be supplied as separate files, while tables must be submitted as editable text. All figures and tables must be cited in the text, numbered consecutively, and include captions.
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Letters To The Editor

Cover Letter Cover Letter requirements are not specified.
Abstract A concise and factual abstract is required. Abstract must not exceed 250 words.
Manuscript Manuscript should be divided into clearly defined and numbered sections, and the abstract must not be included within the section numbering. Submissions must provide 1 to 7 English keywords, article highlights consisting of 3 to 5 bullet points in a separate editable file, and a declaration of generative AI use in manuscript preparation upon submission.
References References in the text must be indicated by a number within square brackets. References must be numbered in the order they appear in the article and may be in any consistent style at submission.
Figures & Tables Tables must be submitted as editable text and figures, images, diagrams, and other graphical media must be supplied as separate files along with the manuscript. All tables and figures must be cited in the manuscript text, numbered consecutively according to appearance, and accompanied by captions.
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Recent Publications

Integration of read-across and artificial neural network-based QSAR model for systemic toxicity prediction of Mandelic acid

Hemantkumar S. Chaudhari, Ludwik Gorczyca, Prajakta Shimpi, Tomoka Hisaki

10.1016/j.comtox.2026.100427
View Publication

A transcriptomics-driven quantitative adverse outcome pathway network model for gentamicin-induced nephrotoxicity

Filippo Di Tillio, Tianqi Zhang, Hugo W. van Kessel, Steven J. Kunnen, Bob van de Water, Joost B. Beltman

10.1016/j.comtox.2026.100422
View Publication

An exchange standard for FAIR PBK models in chemical risk assessment – A PARC community effort

J.W. Kruisselbrink, J. Minnema, D. Deepika, S. Kumar, S. Sharma, T. Gastellu, C. Vogs, J. Westerhout, A. Karakoltzidis, K.E. Tollefsen, A. Zwartsen, M. Palm, J. van Klaveren, A. Ratier, V. Kumar, J. Engel

10.1016/j.comtox.2026.100426
View Publication

ProtoAquaTox: versatile aquatic toxicity prediction software across multiple aquatic organisms and experimental conditions

Pravin Ambure, Eva Serrano-Candelas, Oscar Andreu-Sánchez, María Luisa Fernández-Cruz, Jyotsna Bhat-Ambure, Rafael Gozalbes

10.1016/j.comtox.2026.100420
View Publication

Can electrophilicity and β-carbon electronic structure predict the mutagenicity of α,β-unsaturated acids?

Ana J. Escorcia, Patricia Pérez, Isaias Lans-Vargas, Eduardo Chamorro

10.1016/j.comtox.2026.100421
View Publication

Frequently asked questions

How long does it take to publish?

2 days submission to first decision; 41 days submission to decision after review; 95 days submission to acceptance; 3 days acceptance to online publication.

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What are the publication costs?

Open access APC: USD 4080 excluding taxes. Subscription publication has no open access publication fee.

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Research Topics

Computational Drug Discovery Methods Animal testing and alternatives Effects and risks of endocrine disrupting chemicals Carcinogens and Genotoxicity Assessment Chemistry and Chemical Engineering Metabolomics and Mass Spectrometry Studies Pesticide Exposure and Toxicity Pharmacogenetics and Drug Metabolism Bioinformatics and Genomic Networks Analytical Chemistry and Chromatography Toxic Organic Pollutants Impact Environmental Toxicology and Ecotoxicology Pesticide Residue Analysis and Safety Contact Dermatitis and Allergies Statistical Methods in Clinical Trials Machine Learning in Materials Science Drug Transport and Resistance Mechanisms Synthesis and biological activity Gene expression and cancer classification Pesticide and Herbicide Environmental Studies Insect and Pesticide Research Nanoparticles: synthesis and applications Pharmaceutical and Antibiotic Environmental Impacts Advancements in Transdermal Drug Delivery Cholinesterase and Neurodegenerative Diseases

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