AIMC Topic: Solubility

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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...
Solvents Crystallization Pharmaceutical Preparations Solubility Salicylic Acid Artificial Intelligence Machine Learning Bayes Theorem
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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...
Algorithms Anti-Inflammatory Agents, Non-Steroidal Bayes Theorem Machine Learning Niflumic Acid Solvents Thermodynamics Carbon Dioxide Solubility
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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...
Clobetasol Temperature Nanoparticles Artificial Intelligence Solvents Pressure Carbon Dioxide Solubility
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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...
Thermodynamics Carbon Dioxide Solubility Machine Learning
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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...
Machine Learning Algorithms Recombinant Proteins Escherichia coli Solubility
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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. ...
Powder Diffraction X-Ray Diffraction Chemistry, Pharmaceutical Drug Compounding Crystallization Drug Discovery Drug Development Solubility High-Throughput Screening Assays Support Vector Machine Machine Learning Algorithms
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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...
Aspirin Capsules Solubility Powders Artificial Intelligence Particle Size Calcium Phosphates
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Online OCHEM multi-task model for solubility and lipophilicity prediction of platinum complexes.

Journal of inorganic biochemistry Mar 10, 2025
Predicting the solubility and lipophilicity of platinum(II, IV) complexes is essential for prioritizing potential anticancer candidates in drug discovery. This study introduces the first publicly available online model for predicting the solubility o...
Platinum Solubility Organoplatinum Compounds Antineoplastic Agents Models, Chemical
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Enhancing Predictions of Drug Solubility Through Multidimensional Structural Characterization Exploitation.

IEEE journal of biomedical and health informatics Mar 6, 2025
Solubility is not only a significant physical property of molecules but also a vital factor in small-molecule drug development. Determining drug solubility demands stringent equipment, controlled environments, and substantial human and material resou...
Solubility Humans Neural Networks, Computer Pharmaceutical Preparations
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Exploring a universal model for predicting blueberry soluble solids content based on hyperspectral imaging and transfer learning to address spatial heterogeneity challenge.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Feb 18, 2025
Accurate assessment of soluble solid content (SSC) in blueberries is crucial for quality evaluation. However, in real production lines, blueberries are usually in random placement and the biological heterogeneity of blueberry parts can lead to spectr...
Blueberry Plants Solubility Hyperspectral Imaging Machine Learning Fruit
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