ijms-logo

Journal Browser

Journal Browser

Artificial Intelligence in Molecular Biomarker Screening

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Informatics".

Deadline for manuscript submissions: 20 April 2026 | Viewed by 762

Special Issue Editor


E-Mail Website
Guest Editor
Institute of Epidemiology and Preventive Medicine, National Taiwan University, Room 533, No. 17 Xu-Zhou Rd., Taipei 100, Taiwan
Interests: inflammation; epidemiology; nutrition; colorectal cancer
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Artificial intelligence (AI) is revolutionizing molecular biomarker research by enabling scalable, high-resolution analysis of complex biological systems at the molecular level. Moving beyond clinical applications, AI facilitates the exploration of structural and functional characteristics of biomolecules, uncovering critical insights into disease mechanisms at both cellular and subcellular scales.

This Special Issue, Artificial Intelligence in Molecular Biomarker Screening, invites contributions that showcase advanced AI-driven approaches—such as machine learning, deep learning, and related computational methods—for decoding biomolecular complexity. We particularly welcome studies focused on protein–biomarker interaction prediction, molecular binding affinity estimation, pathway dynamics modeling, and integrative analysis of multi-omics data, including genomics, transcriptomics, proteomics, and metabolomics.

Submissions employing AI for molecular-level inference, in silico modeling, structure-based screening, or molecular dynamics simulations are strongly encouraged. Additionally, innovative applications of digital twins and immersive metaverse technologies in biomarker research—especially those supporting virtual experimentation and molecular system visualization—are of great interest.

This issue seeks to foster interdisciplinary dialogue between AI and molecular biosciences, highlighting how computational intelligence can drive next-generation biomarker discovery and validation. Ultimately, the goal is to advance precision molecular medicine through the integration of AI-enabled insights into biological structure, function, and disease progression.

Prof. Dr. Tony Hsiu-Hsi Chen
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • molecular biomarkers
  • imaging biomarkers
  • screening
  • artificial intelligence
  • metaverse

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (1 paper)

Order results
Result details
Select all
Export citation of selected articles as:

Research

35 pages, 33910 KB  
Article
ReduXis: A Comprehensive Framework for Robust Event-Based Modeling and Profiling of High-Dimensional Biomedical Data
by Neel D. Sarkar, Raghav Tandon, James J. Lah and Cassie S. Mitchell
Int. J. Mol. Sci. 2025, 26(18), 8973; https://doi.org/10.3390/ijms26188973 - 15 Sep 2025
Viewed by 483
Abstract
Event-based models (EBMs) are powerful tools for inferring probabilistic sequences of monotonic biomarker changes in progressive diseases, but their use is often hindered by data quality issues, high dimensionality, and limited interpretability. We introduce ReduXis, a streamlined pipeline that overcomes these challenges via [...] Read more.
Event-based models (EBMs) are powerful tools for inferring probabilistic sequences of monotonic biomarker changes in progressive diseases, but their use is often hindered by data quality issues, high dimensionality, and limited interpretability. We introduce ReduXis, a streamlined pipeline that overcomes these challenges via three key innovations. First, upon dataset upload, ReduXis performs an automated data readiness assessment—verifying file formats, metadata completeness, column consistency, and measurement compatibility—while flagging preprocessing errors, such as improper scaling, and offering actionable feedback. Second, to prevent overfitting in high-dimensional spaces, ReduXis implements an ensemble voting-based feature selection strategy, combining gradient boosting, logistic regression, and random forest classifiers to identify a robust subset of biomarkers. Third, the pipeline generates interpretable outputs—subject-level staging and subtype assignments, comparative biomarker profiles across disease stages, and classification performance visualizations—facilitating transparency and downstream analysis. We validate ReduXis on three diverse cohorts: the Emory Healthy Brain Study (EHBS) cohort of patients with Alzheimer’s disease (AD), a Genomic Data Commons (GDC) cohort of transitional cell carcinoma (TCC) patients, and a GDC cohort of colorectal adenocarcinoma (CRAC) patients. Full article
(This article belongs to the Special Issue Artificial Intelligence in Molecular Biomarker Screening)
Show Figures

Figure 1

Back to TopTop