Deep Learning-Driven Drug Discovery
A Special Issue of International Journal of Molecular Sciences (ISSN 1422-0067) belonging to the section "Molecular Informatics".
Deadline for manuscript submissions: 31 December 2026 | Viewed by 256
Editor
Interests: application of deep learning in drug discover; development and integration of computational models with biological data for drug repurposing
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Deep learning (DL) is transforming drug discovery by enhancing data analysis, predicting molecular interactions, and optimizing drug candidates. With applications in genomics, proteomics, and chemical data analysis, DL accelerates the identification of therapeutic agents, reduces costs, and enables more precise targeting, particularly for complex diseases such as cancer and Alzheimer's disease.
This Special Issue aims to explore the impact of deep learning in drug discovery, focusing on its role in target identification, compound optimization, and preclinical testing. This Issue aligns with IJMS's focus on molecular sciences and computational methods, presenting state-of-the-art DL applications in drug development.
Suggested Themes:
- Deep learning in drug repurposing and biomarker discovery;
- Predicting molecular interactions and toxicity with DL models;
- Multi-omics data integration for drug discovery;
- AI-driven virtual screening and drug design;
- Challenges and future directions in DL-based drug discovery.
We invite the submission of original research, reviews, and case studies on these topics.
Dr. Bowei Zhao
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 250 words) can be sent to the Editorial Office for assessment.
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-anonymized 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.
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Keywords
- deep learning
- drug discovery
- AI-driven drug design
- molecular interactions
- compound optimi-zation
- virtual screening
- biomarker discovery
- drug repurposing
- multi-omics integration
- toxicity prediction
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