World's Best Scientists 2026 revealed!
Computational Toxicology
H-index 17

Computational Toxicology

Ranking & Metrics

Discipline name Position Best Scientists Publications D-Index
Chemistry 718 10 24 10

Additional Metrics

Number of Best Scientists*: 45
Documents by Best Scientists*: 54
Top 100 Ranked Scientists*: 0
SCIMAGO H-index: 28
SCIMAGO SJR: 0.744
Impact Factor: 2.9

Overview

Top Research Topics at Computational Toxicology?

Computational Toxicology primarily focuses on research topics in In silico, Computational biology, Toxicity, Quantitative structure–activity relationship and Artificial intelligence. In silico research presented in the journal encompasses a variety of subjects, including Cosmetics, Risk analysis (engineering), ADME and Biochemical engineering. Computational Toxicology tackles research in Computational biology and various other disciplines, including Adverse Outcome Pathway and Context (language use).

The studies on Toxicity discussed can also contribute to research in the domains of Pharmacology and In vivo. Absorption (skin) and Pharmacokinetics are among the concentrations of Pharmacology that garnered much attention in it. Most of the works presented in Computational Toxicology deals with Quantitative structure–activity relationship but it intersects with the subject of Workflow.

The Artificial intelligence study featured in the journal draws connections with the study of Machine learning. While Machine learning is the focus of Computational Toxicology, it also provided insights into the studies of Risk assessment and Drug discovery. The journal tackles topics on In vitro toxicology, which can potentially contribute to the wider field of In vitro.

  • In silico (20.79%)
  • Computational biology (18.81%)
  • Toxicity (13.37%)

What are the most cited papers published in the journal?

  • The Adverse Outcome Pathway approach in nanotoxicology (53 citations)
  • Navigating through the minefield of read-across tools: A review of in silico tools for grouping (46 citations)
  • Principles underpinning the use of new methodologies in the risk assessment of cosmetic ingredients (43 citations)

Research areas of the most cited articles at Computational Toxicology:

The journal articles mostly deal with topics like Risk analysis (engineering), Risk assessment, Quantitative structure–activity relationship, Workflow and Gap filling. The studies on Risk analysis (engineering) discussed at the most cited publications can also contribute to research in the domains of Manufactured nanomaterials, Liver toxicity, Cosmetics and Adaptation (computer science). The journal articles with studies in Quantitative structure–activity relationship featured incorporate elements of Hazard analysis and Computational model, Artificial intelligence.

What topics the last edition of the journal is best known for?

  • Enzyme
  • Gene
  • Biochemistry

The previous edition focused in particular on these issues:

The main points discussed in Computational Toxicology deals with Computational biology, In silico, Toxicity, Machine learning and Artificial intelligence. It holds forums on In silico that merges themes from other disciplines such as Hazard analysis, ADME and Metabolic pathway. It addresses concerns in the field of Hazard analysis by exploring it in line with topics in Pharmaceutical sciences which intersect with Risk analysis (engineering) subjects.

The journal focused on Machine learning research but expanded to cover Workflow. The study of Workflow encompasses disciplines such as Verification and validation, as well as fields such as Quantitative structure–activity relationship, all of which overlap with one another. The journal addresses concerns in Artificial intelligence which are intertwined with other disciplines, such as Algorithm, Categorical variable and Respiratory system.

The most cited articles from the last journal are:

  • Screening Possible Drug Molecules for Covid-19. The Example of Vanadium (III/IV/V) Complex Molecules with Computational Chemistry and Molecular Docking. (4 citations)
  • Predictive modeling of biological responses in the rat liver using in vitro Tox21 bioactivity: Benefits from high-throughput toxicokinetics. (2 citations)
  • Covid-19 treatment: Investigation on the phytochemical constituents of Vernonia amygdalina as potential Coronavirus-2 inhibitors. (2 citations)

Papers citation over time

A key indicator for each journal is its effectiveness in reaching other researchers with the papers published at that venue.

The chart below presents the interquartile range (first quartile 25%, median 50% and third quartile 75%) of the number of citations of articles over time.

The top authors publishing in Computational Toxicology (based on the number of publications) are:

  • Terry W Schultz (19 papers) published 5 papers at the last edition, 4 more than at the previous edition,
  • Mark T. D. Cronin (17 papers) published 4 papers at the last edition,
  • Andrew Worth (17 papers) published 5 papers at the last edition, 3 more than at the previous edition,
  • Grace Patlewicz (14 papers) published 3 papers at the last edition, 1 more than at the previous edition,
  • Ovanes G. Mekenyan (11 papers) published 3 papers at the last edition, 2 more than at the previous edition.

The overall trend for top authors publishing in this journal is outlined below. The chart shows the number of publications at each edition of the journal for top authors.

Only papers with recognized affiliations are considered

The top affiliations publishing in Computational Toxicology (based on the number of publications) are:

  • United States Environmental Protection Agency (27 papers) published 6 papers at the last edition, 3 more than at the previous edition,
  • Liverpool John Moores University (22 papers) published 5 papers at the last edition, 4 more than at the previous edition,
  • University of Tennessee (18 papers) published 4 papers at the last edition, 3 more than at the previous edition,
  • Oak Ridge Institute for Science and Education (16 papers) published 2 papers at the last edition, 2 less than at the previous edition,
  • Research Triangle Park (14 papers) published 2 papers at the last edition, 3 less than at the previous edition.

The overall trend for top affiliations publishing in this journal is outlined below. The chart shows the number of publications at each edition of the journal for top affiliations.

Publication chance based on affiliation

The publication chance index shows the ratio of articles published by the best research institutions in the journal edition to all articles published within that journal. The best research institutions were selected based on the largest number of articles published during all editions of the journal.

The chart below presents the percentage ratio of articles from top institutions (based on their ranking of total papers).Top affiliations were grouped by their rank into the following tiers: top 1-10, top 11-20, top 21-50, and top 51+. Only articles with a recognized affiliation are considered.

During the most recent 2021 edition, 13.46% of publications had an unrecognized affiliation. Out of the publications with recognized affiliations, 44.44% were posted by at least one author from the top 10 institutions publishing in the journal. Another 2.22% included authors affiliated with research institutions from the top 11-20 affiliations. Institutions from the 21-50 range included 8.89% of all publications and 44.44% were from other institutions.

Returning Authors Index

A very common phenomenon observed among researchers publishing scientific articles is the intentional selection of journals they have already attended in the past. In particular, it is worth analyzing the case when the authors participate in the same journal from year to year.

The Returning Authors Index presented below illustrates the ratio of authors who participated in both a given as well as the previous edition of the journal in relation to all participants in a given year.

Returning Institution Index

The graph below shows the Returning Institution Index, illustrating the ratio of institutions that participated in both a given and the previous edition of the conference in relation to all affiliations present in a given year.

The experience to innovation index

Our experience to innovation index was created to show a cross-section of the experience level of authors publishing in a journal. The index includes the authors publishing at the last edition of a journal, grouped by total number of publications throughout their academic career (P) and the total number of citations of these publications ever received (C).

The group intervals were selected empirically to best show the diversity of the authors' experiences, their labels were selected as a convenience, not as judgment. The authors were divided into the following groups:

  • Novice - P < 5 or C < 25 (the number of publications less than 5 or the number of citations less than 25),
  • Competent - P < 10 or C < 100 (the number of publications less than 10 or the number of citations less than 100),
  • Experienced - P < 25 or C < 625 (the number of publications less than 25 or the number of citations less than 625),
  • Master - P < 50 or C < 2500 (the number of publications less than 50 or the number of citations less than 2500),
  • Star - P ≥ 50 and C ≥ 2500 (both the number of publications greater than 50 and the number of citations greater than 2500).

The chart below illustrates experience levels of first authors in cases of publications with multiple authors.

Top Publications

  • Synthesis and characterization of novel thiazole derivatives as potential anticancer agents: Molecular docking and DFT studies

    R. Raveesha;A.M. Anusuya;A.V. Raghu;K. Yogesh Kumar

    (2022)
    59 Citations
  • A Review of In Silico Toxicology Approaches to Support the Safety Assessment of Cosmetics-Related Materials

    (2022)
    48 Citations
  • In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity

    Arianna Bassan;Vinicius M. Alves;Alexander Amberg;Lennart T. Anger

    (2021)
    33 Citations
  • Probabilistic modelling of developmental neurotoxicity based on a simplified adverse outcome pathway network

    (2021)
    32 Citations
  • Towards a qAOP Framework for Predictive Toxicology - Linking Data to Decisions

    Alicia Paini;Ivana Campia;Mark T.D. Cronin;David Asturiol

    (2021)
    27 Citations
  • In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities

    Arianna Bassan;Vinicius M. Alves;Alexander Amberg;Lennart T. Anger

    (2021)
    25 Citations
  • A Review of Quantitative Structure-Activity Relationship Modelling Approaches to Predict the Toxicity of Mixtures

    (2022)
    18 Citations
  • Evaluating Confidence in Toxicity Assessments Based on Experimental Data and In Silico Predictions

    Candice Johnson;Lennart T. Anger;Romualdo Benigni;David Bower

    (2022)
    18 Citations
  • COSMOS next generation - A public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals.

    C. Yang;M.T.D. Cronin;K.B. Arvidson;B. Bienfait

    (2021)
    17 Citations
  • Principles and Procedures for Assessment of Acute Toxicity Incorporating In Silico Methods.

    (2022)
    13 Citations

Related Online Degrees & Career Pathways

For students interested in Chemistry, exploring related online degrees can open doors to diverse career paths. Many universities offer universities with dual degree programs, allowing learners to combine Chemistry with fields such as healthcare or pharmacy for a competitive edge in the job market.

One prominent option is transitioning into pharmacy through reputable online pharmacy school programs. These programs provide flexible pathways to becoming a licensed pharmacist, complementing a background in Chemistry.

Similarly, those interested in nursing can benefit from some of the best rn to bsn programs, which facilitate career advancement by building on previous medical training. Chemistry graduates often find this route rewarding due to the strong science foundation.

For accelerated options, consider accelerated pharmd degrees that enable faster entry into pharmacy practice. These programs are ideal for those seeking a streamlined transition from Chemistry to professional pharmacy roles.

Best Scientists Contributing to This Journal