PURPOSE: Predicting powder blend flowability is necessary for pharmaceutical manufacturing but challenging and resource-intensive. The purpose was to develop machine learning (ML) models to help predict flowability across multiple flow categories, id...
OBJECTIVE: Amorphous solid dispersion (ASD) is widely utilized to enhance the solubility and bioavailability of water-insoluble drugs. However, conventional experimental approaches for ASD development are often resource-intensive and time-consuming. ...
Journal of chemical information and modeling
Feb 17, 2025
Efficient R-group exploration in the vast chemical space, enabled by increasingly available building blocks or generative AI, remains an open challenge. Here, we developed an enhanced Free-Wilson QSAR model embedding R-groups by atom-centric pharmaco...
International journal of pharmaceutics
Feb 15, 2025
We propose a novel approach for predicting the solid fraction after roller compaction processes. It is crucial to predict and control the solid fraction, as it has a significant impact on the product quality. The solid fraction can be theoretically p...
Lipid-based formulations are essential for enhancing drug solubility and bioavailability, yet selecting optimal lipid excipients for specific drugs remains challenging. This study introduces Sol_ME, a machine learning-based model designed to predict ...
Retrosynthesis is a strategy to analyze the synthetic routes for target molecules in medicinal chemistry. However, traditional retrosynthesis predictions performed by chemists and rule-based expert systems struggle to adapt to the vast chemical space...
Journal of pharmaceutical and biomedical analysis
Jan 26, 2025
Near-infrared hyperspectral imaging (NIR-HSI) integrated with expert systems can support the monitoring of active pharmaceutical ingredients (APIs) and provide effective quality control of tablet formulations. However, existing quality control method...
Pharmaceutical development and technology
Jan 11, 2025
Machine learning (ML) has emerged as a transformative tool in drug delivery, particularly in the design and optimization of liposomal formulations. This review focuses on the intersection of ML and liposomal technology, highlighting how advanced algo...
International journal of pharmaceutics
Jan 3, 2025
Cosmetic inspection of freeze-dried products is an important part of the post-manufacturing quality control process. Traditionally done by human visual inspection, this method poses typical challenges and shortcomings that can be addressed with innov...
Journal of controlled release : official journal of the Controlled Release Society
Dec 26, 2024
Rational drug development would be impossible without selecting the appropriate formulation route. However, pharmaceutical scientists often rely on limited personal experiences to perform trial-and-error tests on diverse formulation strategies. Such ...
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