AIMC Topic: Solubility
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Machine learning-based analysis on pharmaceutical compounds interaction with polymer to estimate drug solubility in formulations.
Scientific reports
Jul 2, 2025
This study introduces a sophisticated predictive framework for determining drug solubility and activity values in formulations via machine learning. The framework utilizes a comprehensive dataset consisting of more than 12,000 data rows and 24 input ...
Machine Learning Based Quantitative Structure-Dissolution Profile Relationship.
Journal of chemical information and modeling
Jun 5, 2025
Determining accurate drug dissolution processes in the gastrointestinal tract is critical in drug discovery as dissolution profiles provide essential information for estimating the bioavailability of orally administered drugs. While various methods h...
Analysis of drug crystallization by evaluation of pharmaceutical solubility in various solvents by optimization of artificial intelligence models.
Scientific reports
Jun 4, 2025
For analysis of crystallization, the solubility of drug in solvents should be correlated to input parameters. In this investigation, the solubility of salicylic acid as drug model in a variety of solvents is predicted through the utilization of multi...
Analysis of a nonsteroidal anti inflammatory drug solubility in green solvent via developing robust models based on machine learning technique.
Scientific reports
Jun 3, 2025
This study develops and evaluates advanced hybrid machine learning models-ADA-ARD (AdaBoost on ARD Regression), ADA-BRR (AdaBoost on Bayesian Ridge Regression), and ADA-GPR (AdaBoost on Gaussian Process Regression)-optimized via the Black Widow Optim...
Development of machine learning models for estimation of disintegration time on fast-disintegrating tablets.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
May 23, 2025
The disintegration time for solid dosage oral formulations is directly influenced by diverse factors such as molecular properties, physical characteristics, excipient compositions, and formulation-specific attributes. This research addresses the chal...
Computational intelligence modeling and optimization of small molecule API solubility in supercritical solvent for production of drug nanoparticles.
Scientific reports
Apr 28, 2025
Artificial Intelligence (AI) is applied in this research for the analysis of a novel green method for production of nanomedicine. The method is based on supercritical solvent for production of drug nanoparticles in which the AI was used to estimate t...
Improved Solubility Predictions in scCO Using Thermodynamics-Informed Machine Learning Models.
Journal of chemical information and modeling
Apr 15, 2025
Accurate solubility prediction in supercritical carbon dioxide (scCO) is crucial for optimizing experimental design by eliminating unnecessary and costly trials at an early stage, thereby streamlining the workflow. A comprehensive solubility database...
Estimation and validation of solubility of recombinant protein in E. coli strains via various advanced machine learning models.
Scientific reports
Apr 14, 2025
This study presents a comprehensive approach to predicting solubility of recombinant protein in four E. coli samples by employing machine learning techniques and optimization algorithms. Various models, including AdaBoost, Decision Tree Regression (D...
Combining High-Throughput Screening and Machine Learning to Predict the Formation of Both Binary and Ternary Amorphous Solid Dispersion Formulations for Early Drug Discovery and Development.
Pharmaceutical research
Apr 3, 2025
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. ...
Real-time component-based particle size measurement and dissolution prediction during continuous powder feeding using machine vision and artificial intelligence-based object detection.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
Mar 20, 2025
This work presents a system, in which machine vision combined with artificial intelligence-based image analysis was used to determine the component-based particle size distribution of pharmaceutical powder blends. The blends consisted of acetylsalicy...
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