World's Best Scientists 2026 revealed!
Journal of Cheminformatics
H-index 41

Journal of Cheminformatics

1758-2946

Published by: Springer

https://jcheminf.biomedcentral.com/

Ranking & Metrics

Discipline name Position Best Scientists Publications D-Index
Computer Science 138 56 136 34

Additional Metrics

Number of Best Scientists*: 179
Documents by Best Scientists*: 257
Top 100 Ranked Scientists*: 6
SCIMAGO H-index: 92
SCIMAGO SJR: 1.57
Impact Factor: 5.7

Overview

Top Research Topics at Journal of Cheminformatics?

Journal of Cheminformatics was organized to reinforce research efforts on Data mining, Artificial intelligence, Cheminformatics, Computational biology and Virtual screening. While Data mining is the focus of it, it also provided insights into the studies of Quantitative structure–activity relationship, Set (abstract data type), Support vector machine, Similarity (network science) and PubChem. Journal of Cheminformatics explores topics in Artificial intelligence which can be helpful for research in disciplines like Machine learning and Pattern recognition.

Some problems in Cheminformatics that were presented in Journal of Cheminformatics overlapped with concepts under Software and Data science. It addresses concerns in Computational biology which are intertwined with other disciplines, such as Drug, Small molecule and Drug discovery, Bioinformatics. While Journal of Cheminformatics focused on Virtual screening, it was also able to explore topics like Pharmacophore and Chemical space.

  • Data mining (28.37%)
  • Artificial intelligence (16.80%)
  • Cheminformatics (16.01%)

What are the most cited papers published in the journal?

  • Open Babel: An open chemical toolbox (3647 citations)
  • Avogadro: an advanced semantic chemical editor, visualization, and analysis platform (3518 citations)
  • TCMSP: a database of systems pharmacology for drug discovery from herbal medicines. (1035 citations)

Research areas of the most cited articles at Journal of Cheminformatics:

The published papers facilitate discussions on Data mining, Artificial intelligence, Cheminformatics, Data science and Virtual screening. While Artificial intelligence is the focus of the published articles, it also provides insights into the studies of Machine learning and Pattern recognition. The journal articles hold forums on Cheminformatics that merge themes from other disciplines such as Python (programming language), Programming language, Software, Quantitative structure–activity relationship and Data set.

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

  • Artificial intelligence
  • Enzyme
  • Statistics

The previous edition focused in particular on these issues:

The journal mainly tackles studies in Artificial intelligence, Machine learning, Set (abstract data type), Cheminformatics and Drug discovery. The research on Artificial intelligence featured in it combines topics in other fields like Virtual screening, Docking (molecular) and Pattern recognition. The Set (abstract data type) works featured in the journal incorporate elements from Chemical nomenclature, Natural language processing, Representation (mathematics), Identifier and Algorithm.

The journal holds forums on Cheminformatics that merges themes from other disciplines such as Similarity (network science), Chemical space, World Wide Web and Open science. It deals with Artificial neural network in conjunction with PubChem and similar fields in Software. In the journal, Web application and Workflow are investigated in conjunction with one another to address concerns in Software research.

The most cited articles from the last journal are:

  • COCONUT online: Collection of Open Natural Products database (33 citations)
  • patRoon: open source software platform for environmental mass spectrometry based non-target screening (20 citations)
  • Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models (20 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 Journal of Cheminformatics (based on the number of publications) are:

  • Andreas Bender (35 papers) published 3 papers at the last edition, 1 more than at the previous edition,
  • Christoph Steinbeck (32 papers) published 6 papers at the last edition, 2 more than at the previous edition,
  • Evan E Bolton (22 papers) published 3 papers at the last edition,
  • Matthias Rarey (21 papers) absent at the last edition,
  • Ola Engkvist (20 papers) published 3 papers at the last edition, 4 less 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 Journal of Cheminformatics (based on the number of publications) are:

  • University of Cambridge (60 papers) published 3 papers at the last edition the same number as at the previous edition,
  • European Bioinformatics Institute (40 papers) published 1 paper at the last edition, 1 less than at the previous edition,
  • AstraZeneca (37 papers) published 4 papers at the last edition, 3 less than at the previous edition,
  • National Institutes of Health (37 papers) published 3 papers at the last edition, 1 more than at the previous edition,
  • University of Tübingen (27 papers) absent at the last 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, 3.66% of publications had an unrecognized affiliation. Out of the publications with recognized affiliations, 15.19% were posted by at least one author from the top 10 institutions publishing in the journal. Another 16.46% included authors affiliated with research institutions from the top 11-20 affiliations. Institutions from the 21-50 range included 13.92% of all publications and 54.43% 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.

Career Opportunities and Educational Requirements in Cheminformatics

If you find these topics interesting, you may consider pursuing a career in cheminformatics. However, the first step towards a career in cheminformatics or any other academic field is obtaining the appropriate educational qualifications. The path towards becoming a cheminformatics specialist can vary greatly depending upon the individual's educational background and interests. Usually, those in the field have a strong background in computer science and chemistry. However, those with degrees in related fields may also find opportunities in cheminformatics.

Some of the positions available for those with a degree in cheminformatics include bioinformatics scientists, research scientists, computational chemists, and data scientists. These positions may require further education or training, especially for those with a bachelor's degree.

For those in Utah seeking to transition from a different field, especially teaching, it may be necessary to complete additional studies. Several institutions offer programs that allow individuals to make these career switches without necessitating a complete return to undergraduate studies. You may refer to our guide on how to become a teacher in utah with a bachelor's degree for more detailed information.

Regardless of the path you choose, the field of cheminformatics promises a wealth of opportunities with the prospect of contributing to vital research and development within many scientific disciplines.

Top Publications

  • Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models

    Dejun Jiang;Zhenxing Wu;Chang-Yu Hsieh;Guangyong Chen

    (2021)
    562 Citations
  • COCONUT online: Collection of Open Natural Products database

    Maria Sorokina;Peter Merseburger;Kohulan Rajan;Mehmet Aziz Yirik

    (2021)
    542 Citations
  • Molecular representations in AI-driven drug discovery: a review and practical guide

    Laurianne David;Amol Thakkar;Amol Thakkar;Rocío Mercado;Ola Engkvist

    (2020)
    521 Citations
  • Review on natural products databases: where to find data in 2020

    Maria Sorokina;Christoph Steinbeck

    (2020)
    448 Citations
  • A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions

    Tamer N. Jarada;Jon George Rokne;Reda Alhajj;Reda Alhajj

    (2020)
    375 Citations
  • AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning

    Samuel Genheden;Amol Thakkar;Amol Thakkar;Veronika Chadimová;Jean-Louis Reymond

    (2020)
    316 Citations
  • Transformer-CNN: Swiss knife for QSAR modeling and interpretation

    Pavel Karpov;Guillaume Godin;Igor V. Tetko

    (2020)
    236 Citations
  • Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction

    Michael Withnall;Edvard Lindelöf;Ola Engkvist;Hongming Chen

    (2020)
    214 Citations
  • SMILES-based deep generative scaffold decorator for de-novo drug design

    Josep Arús-Pous;Josep Arús-Pous;Atanas Patronov;Esben Jannik Bjerrum;Christian Tyrchan

    (2020)
    197 Citations
  • Towards reproducible computational drug discovery

    Nalini Schaduangrat;Samuel Lampa;Saw Simeon;Matthew Paul Gleeson

    (2020)
    163 Citations

Related Online Degrees & Career Pathways

Studying Computer Science in the USA opens doors to a variety of specialized career paths and advanced education opportunities. For those interested in broadening their engineering skills, there are numerous online colleges for engineering that offer flexible and affordable programs tailored to working professionals.

Creative minds can explore the intersection of technology and design through game design masters online. These programs focus on the artistic and technical skills required to excel in the growing video game industry.

With the increasing importance of cybersecurity, accelerated options like the accelerated cyber security program allow students to quickly gain critical skills needed to protect data and infrastructure in various sectors.

Additionally, data-driven decision making is central to modern businesses, and pursuing an online master data science degree provides advanced analytics expertise, opening pathways to lucrative roles in data analysis, machine learning, and beyond.

Best Scientists Contributing to This Journal