Advanced Computational Tools in Development and Assessment of Dosage Form

A special issue of Pharmaceutics (ISSN 1999-4923). This special issue belongs to the section "Pharmaceutical Technology, Manufacturing and Devices".

Deadline for manuscript submissions: 31 January 2027 | Viewed by 5120

Special Issue Editors


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Guest Editor
Department of Pharmaceutical Technology and Biopharmaceutics, Faculty of Pharmacy, Jagiellonian University-Medical College, Medyczna 9 St, 30-688 Kraków, Poland
Interests: pharmaceutical technology; machine learning; solid dosage forms; drug dissolution; biopharmaceutics
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, 30-688 Kraków, Poland
Interests: artificial intelligence; machine learning; pulmonary drug delivery; particle technology; spray drying; biopharmaceutics; image processing and analysis
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Currently, scientists have more options for multidimensional assessments of products, combined with advanced computational tools like AI/ML and well-known computer vision algorithms with good performance. These tools enable a deeper understanding of production process outcomes and quality attributes of dosage forms quality attributes. They also allow for the prediction of the safety and efficacy of drug dosage forms. These developments are why we have proposed this topic, which we recognize as an important trend.

This Special Issue explores the application of artificial intelligence, machine learning, and computer vision (AI/ML/CV) with advanced imaging techniques—such as micro-computed tomography (µCT), Raman spectroscopy, scanning electron microscopy (SEM), IR microscopy, and RT UV imaging—for the assessment and optimization of drug dosage forms. Please note that a validation experiment is compulsory for article-type papers.

This collection aims to showcase the potential of these state-of-the-art methods in analyzing the structural, chemical, and morphological characteristics of pharmaceutical formulations.

Topics of interest include the following areas of research:

  • Imaging-based evaluation of dissolution processes (UV/IR/MRI);
  • Structural and compositional analysis of complex dosage forms (µCT/SEM/IR);
  • AI-driven image processing and data analysis for pharmaceutical research;
  • Real-time imaging techniques for in-process monitoring (AI-based in-line monitoring);
  • Innovations in imaging for quality control and regulatory compliance.

Dr. Jakub Szlęk
Dr. Adam Pacławski
Guest Editors

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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. Pharmaceutics is an international peer-reviewed open access monthly journal published by MDPI.

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Keywords

  • artificial intelligence
  • computational tools
  • advanced imaging in drug development
  • pharmaceutical analysis
  • dosage form characterization
  • pharmaceutical process monitoring

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Published Papers (3 papers)

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Research

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30 pages, 4586 KB  
Article
In Silico Preformulation Modeling, Solubility Enhancement, and Sustainable Release of Rebamipide Utilizing Deep Eutectic Mixture Loaded Bioadhesive Controlled Release Granules for Gastritis Treatment
by Yasir Qasim Almajidi, Maher Abdulrazzaq Al-Hakeem and Ahmed Yaseen
Pharmaceutics 2026, 18(5), 521; https://doi.org/10.3390/pharmaceutics18050521 (registering DOI) - 24 Apr 2026
Abstract
Background/Objectives: Rebamipide is a gastroprotective agent with poor aqueous solubility and rapid gastrointestinal clearance, leading to reduced therapeutic efficiency. This study aimed to enhance the solubility, mucoadhesion, and sustained oral delivery of Rebamipide through the development of a deep eutectic mixture (DEM)-based bioadhesive [...] Read more.
Background/Objectives: Rebamipide is a gastroprotective agent with poor aqueous solubility and rapid gastrointestinal clearance, leading to reduced therapeutic efficiency. This study aimed to enhance the solubility, mucoadhesion, and sustained oral delivery of Rebamipide through the development of a deep eutectic mixture (DEM)-based bioadhesive controlled-release granule formulation. Methods: In silico hydrogen-bonding interactions between Rebamipide, malonic acid, and urea were analyzed using CCDC tools. A thermodynamically stable DEM (1:3:1) was prepared and incorporated into bioadhesive granules using chitosan and HPMC. Physicochemical characterization was conducted using FTIR, DSC, TGA, and PXRD. Solubility, in vitro dissolution, ex vivo mucoadhesion (sheep gastric mucosa), and in vivo gastric retention (BaSO4-loaded granules in rats) were evaluated. Results: The optimized DEM significantly enhanced Rebamipide solubility (10.08 mg/mL vs. 0.045 mg/mL). Solid-state analyses confirmed hydrogen-bond formation and reduced crystallinity. DEM granules exhibited sustained drug release over 24 h (99.7 ± 0.8%) with improved dissolution efficiency compared to the marketed tablet (Mucosta®, 100 mg; T50%: 5.03 h vs. 0.82 h). Kinetic modeling indicated non-Fickian anomalous transport (n = 0.47). The bioadhesive force of DEM granules (0.29 ± 0.02 N) was significantly higher than that of the pure drug and physical mixture. In vivo radiographic studies confirmed prolonged gastric retention. Conclusions: The DEM-based bioadhesive granule system effectively improves solubility, dissolution rate, mucoadhesion, and gastric retention of Rebamipide. This approach represents a promising platform for once-daily gastroretentive oral delivery, pending further pharmacokinetic evaluation. Full article
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18 pages, 2181 KB  
Article
Explainable AI in Pharmaceutics: Grad-CAM Analysis of Surface Dissolution Imaging Using Convolutional Neural Networks
by Abdullah Al-Baghdadi, Adam Pacławski, Jakub Szlęk and Aleksander Mendyk
Pharmaceutics 2026, 18(4), 481; https://doi.org/10.3390/pharmaceutics18040481 - 14 Apr 2026
Viewed by 419
Abstract
Background: The dissolution of oral solid dosage forms is a key determinant of drug bioavailability, yet traditional testing methods do not capture the real-time surface dynamics of drug release. This study introduces a novel framework combining surface dissolution imaging (SDi2) with an interpretable, [...] Read more.
Background: The dissolution of oral solid dosage forms is a key determinant of drug bioavailability, yet traditional testing methods do not capture the real-time surface dynamics of drug release. This study introduces a novel framework combining surface dissolution imaging (SDi2) with an interpretable, dual-wavelength convolutional neural network (CNN) to predict and understand dissolution behavior. Methods: Eight tablet formulations containing acetylsalicylic acid, sodium salicylate, or salicylamide, combined with either lactose or methylcellulose, were analyzed under two distinct, compendial conditions (pH 1.2 and pH 6.8). Results: Our final CNN model, which synergistically processes spectral images (280 nm for API release and 520 nm for structural changes), temporal data, and formulation composition, accurately predicted dissolution profiles, achieving a coefficient of determination of 0.89 and a root mean square error (RMSE) of 11.57. To overcome the “black-box” nature of deep learning, we employed Gradient-weighted Class Activation Mapping (Grad-CAM) to interpret the model’s predictions. The analysis revealed that the model focused on tablet edges at 280 nm, consistent with surface dissolution, and on bulk regions at 520 nm, reflecting structural changes including erosion and gel-layer growth. Conclusions: These findings suggest that integrating real-time imaging with explainable AI methods can support better understanding of dissolution processes in pharmaceutical formulation development. Full article
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Review

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21 pages, 610 KB  
Review
Artificial Intelligence (AI) in Pharmaceutical Formulation and Dosage Calculations
by Sameer Joshi and Sandeep Sheth
Pharmaceutics 2025, 17(11), 1440; https://doi.org/10.3390/pharmaceutics17111440 - 7 Nov 2025
Cited by 7 | Viewed by 4161
Abstract
Artificial intelligence (AI) is reforming pharmaceutical sciences by renovating traditional drug formulation and dosage calculation approaches. This review provides a comprehensive overview of how AI technologies, such as machine learning (ML), deep learning (DL), and natural language processing (NLP), are currently being used [...] Read more.
Artificial intelligence (AI) is reforming pharmaceutical sciences by renovating traditional drug formulation and dosage calculation approaches. This review provides a comprehensive overview of how AI technologies, such as machine learning (ML), deep learning (DL), and natural language processing (NLP), are currently being used in pharmaceutical calculations to improve accuracy, efficiency, and personalization. We have explored the role of AI in predicting drug properties, excipient optimization, and formulation design, as well as its applications in pharmacokinetic/pharmacodynamic (PK/PD) modeling, real-time dose adjustment, and precision medicine. Despite significant progress, data quality, interpretability, regulatory acceptance, and ethical considerations persist. Therefore, this review examines the impact of AI on automated decision-making, quality control, and regulatory compliance in pharmaceutical formulation development. The article also highlights the emerging trends in pharmaceuticals, including AI-assisted 3D printing, integration with wearable technologies, and emphasizing AI’s transformative potential in reforming the landscape of pharmaceuticals and personalized therapeutics. Full article
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