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Milestones in Cheminformatics

Edited by:

Karina Martinez-Mayorga, PhD, National Autonomous University of Mexico, Mexico
José L. Medina-Franco, PhD, FRSC, National Autonomous University of Mexico, Mexico
 

Submission Status: Closed   

This collection is no longer accepting submissions.


Journal of Cheminformatics is calling for submissions to our Collection on Milestones in Cheminformatics. In light of the 15th anniversary of the Journal of Cheminformatics, we introduce this special collection of Commentaries entitled Milestones in Cheminformatics.
Pioneers and experts will discuss what, in their views, are the greatest of all time concepts, methodologies, and developments that have pushed the boundaries of cheminformatics to its current form, as well as forthcoming challenges and opportunities

  5. Traditional best practices for quantitative structure activity relationship (QSAR) modeling recommend dataset balancing and balanced accuracy (BA) as the key desired objective of model development. This study ...

    Authors: James Wellnitz, Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene N. Muratov, Alexander Tropsha and Alexey V. Zakharov
    Citation: Journal of Cheminformatics 2025 17:7
    Content type: Comment Published on:

  6. Chemistry has diversified from a basic understanding of the elements to studying millions of highly diverse molecules and materials, which together are conceptualized as the chemical space. A map of this chemi...

    Authors: Jean-Louis Reymond
    Citation: Journal of Cheminformatics 2025 17:6
    Content type: Comment Published on:

  7. Over the past ~ 25 years, chemoinformatics has evolved as a scientific discipline, with a strong foundation in pharmaceutical research and scientific roots that can be traced back to the late 1950s. It covers ...

    Authors: Jürgen Bajorath
    Citation: Journal of Cheminformatics 2024 16:124
    Content type: Comment Published on:

About the Collection

Journal of Cheminformatics is calling for submissions to our Collection on Milestones in Cheminformatics. In light of the 15th anniversary of the Journal of Cheminformatics, we introduce this special collection of Commentaries entitled Milestones in Cheminformatics. 

Pioneers and experts will discuss what, in their views, are the greatest of all time concepts, methodologies, and developments that have pushed the boundaries of cheminformatics to its current form, as well as forthcoming challenges and opportunities. Broad topics include: 

•    an overall account of the cheminformatics field; 
•    theoretical aspects and applications of chemical spaces; 
•    education; 
•    publishing; 
•    predictive models of bioactivity; 
•    job market/career development; 
•    compound databases; 
•    data analysis and visualization; 
•    open science/open data; 
•    and software / web-servers.

Submission Guidelines

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This Collection welcomes submission of commentaries. Should you wish to submit a different article type, please read our submission guidelines to confirm that type is accepted by the journal. 

Articles for this Collection should be submitted via our submission system, Snapp. Please, select the appropriate Collection title “Milestones in Cheminformatics" under the “Details” tab during the submission stage.

Articles will undergo the journal’s standard peer-review process and are subject to all the journal’s standard policies. Articles will be added to the Collection as they are published.

The Editors have no competing interests with the submissions which they handle through the peer-review process. The peer-review of any submissions for which the Editors have competing interests is handled by another Editorial Board Member who has no competing interests.