AIMC Topic: Chemistry, Pharmaceutical
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Artificial Intelligence in Retrosynthesis Prediction and its Applications in Medicinal Chemistry.
Journal of medicinal chemistry
Jan 30, 2025
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...
Integrating hyperspectrograms with class modeling techniques for the construction of an effective expert system: Quality control of pharmaceutical tablets based on near-infrared hyperspectral imaging.
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...
'Applications of machine learning in liposomal formulation and development'.
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...
A deep learning approach to perform defect classification of freeze-dried product.
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...
AI-directed formulation strategy design initiates rational drug development.
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 ...
Optimizing critical quality attributes of fast disintegrating tablets using artificial neural networks: a scientific benchmark study.
Drug development and industrial pharmacy
Dec 8, 2024
OBJECTIVE: The objective of this study is to create predictive models utilizing machine learning algorithms, including Artificial Neural Networks (ANN), k-nearest neighbor (kNN), support vector machines (SVM), and linear regression, to predict critic...
Modelling the effect of base component properties and processing conditions on mixture products using probabilistic, knowledge-guided neural networks.
International journal of pharmaceutics
Dec 4, 2024
Development of materials by mixing different base components is a widespread methodology to create materials with improved properties compared to those of its base components. However, efficient determination of the properties of mixture-based materi...
High-Speed Imaging-Based Particle Attribute Analysis of Spray-Dried Amorphous Solid Dispersions Using a Convolution Neural Network.
Molecular pharmaceutics
Dec 2, 2024
Spray drying is a well-established method for preparing amorphous solid dispersion (ASD) formulations to improve the oral bioavailability of poorly soluble drugs. In addition to the characterization of the amorphous phase, particle attributes of spra...
A non-linear modelling approach to predict the dissolution profile of extended-release tablets.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
Nov 28, 2024
This study proposes a novel non-linear modelling approach to predict the dissolution profiles of extended-release tablets, by combining a full-factorial design, curve fitting to the dissolution profiles, and artificial neural networks (ANN), with lin...
Machine learning strengthened formulation design of pharmaceutical suspensions.
International journal of pharmaceutics
Nov 19, 2024
Many different formulation strategies have been investigated to oppose suboptimal treatment of long-term or chronic conditions, one of which are the nano- and microsuspensions prepared as long-acting injectables to prolong the release of an active ph...
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