Advanced Algorithms for Small-Molecule Therapeutics Development
A special issue of Pharmaceutics (ISSN 1999-4923). This special issue belongs to the section "Pharmacokinetics and Pharmacodynamics".
Deadline for manuscript submissions: 30 April 2026 | Viewed by 1247
Special Issue Editors
Interests: AI in drug design; small-molecule therapeutics; drug target prediction; pharmacoinformatics
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The advancement of small-molecule therapeutics is revolutionizing drug development and enhancing our understanding of pharmacokinetics and pharmacodynamics. As drug targets are becoming increasingly complex, the integration of computational methods into therapeutic development offers unprecedented precision in predicting drug behavior, efficacy, and safety. These approaches are pivotal in enhancing the development pipeline, improving therapeutic outcomes, and minimizing adverse effects.
This Special Issue seeks to delve into cutting-edge computational techniques that directly address challenges in drug development, with a specific emphasis on pharmacokinetics, pharmacodynamics, and related fields. By exploring the interface between computational algorithms and therapeutic design, we aim to highlight strategies that bridge the gap between molecular innovation and clinical application. Contributions should focus on advancing algorithmic approaches that optimize drug metabolism, distribution, and efficacy, and on addressing the complexities of multi-target and patient-specific therapies.
We invite submissions of original research articles and comprehensive reviews focused on the following areas:
- Computational modeling of pharmacokinetics and pharmacodynamics;
- Algorithms for predicting drug absorption, distribution, metabolism, and excretion (ADME);
- Computational tools for toxicity prediction and safety profiling;
- Structure-based optimization for enhanced therapeutic efficacy;
- Multi-target and systems pharmacology approaches in drug development;
- Integration of machine learning in refining drug design and dosing strategies.
This Special Issue aims to provide a platform for groundbreaking research that fosters interdisciplinary collaboration to advance the development of safer and more effective therapeutics.
Dr. Anca Zanfirescu
Dr. Corina Andrei
Guest Editors
Manuscript Submission Information
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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). 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
- small-molecule drug development
- advanced computational algorithms
- pharmacokinetics modeling
- toxicity prediction algorithms
- multi-target drug development
- predictive modeling for drug efficacy
- algorithm-driven pharmacology
- computational drug development
- drug safety profiling
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