AIMC Topic: Solvents
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Sustainable extraction of phytochemicals from Mentha arvensis using supramolecular eutectic solvent via microwave Irradiation: Unveiling insights with CatBoost-Driven feature analysis.
Ultrasonics sonochemistry
Mar 4, 2025
The present study revealed the higher extraction potential of sustainable choline chloride (ChCl) and ethylene glycol (EG) based deep eutectic solvent (DES) from Mentha arvensis via microwave irradiation. The categorical boosting (CatBoost) machine l...
Extraction of polysaccharides from Camellia oleifera leaves by dual enzymes combined with deep eutectic solvents screened by ANN and COSMO-RS.
International journal of biological macromolecules
Feb 16, 2025
Camellia oleifera leaves were byproduct of the C. oleifera industry which was rich in polysaccharides. Deep eutectic solvent-dual enzyme system (DES-dEAE) was established to achieve the simultaneous hydrolysis reaction of dual enzymes and DES extract...
Correlation of rivaroxaban solubility in mixed solvents for optimization of solubility using machine learning analysis and validation.
Scientific reports
Feb 8, 2025
In this study, the solubility of rivaroxaban, a poorly water-soluble drug, was investigated in mixed solvent systems to address challenges in pharmaceutical formulation and bioavailability enhancement. Solubility optimization is essential for the eff...
Machine Learning-Based Prediction of Drug Solubility in Lipidic Environments: The Sol_ME Tool for Optimizing Lipid-Based Formulations with a Preliminary Apalutamide Case Study.
AAPS PharmSciTech
Feb 3, 2025
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 ...
Machine learning analysis of rivaroxaban solubility in mixed solvents for application in pharmaceutical crystallization.
Scientific reports
Jan 17, 2025
This study investigates the use of machine learning models to predict solubility of rivaroxaban in binary solvents based on temperature (T), mass fraction (w), and solvent type. Using a dataset with over 250 data points and including solvents encoded...
Deep eutectic solvent-modified polyvinyl alcohol/chitosan thin film membrane for dye adsorption: Machine learning modeling, experimental, and density functional theory calculations.
International journal of biological macromolecules
Jan 3, 2025
The polyvinyl alcohol/chitosan (PVA/CS) thin film membrane was modified using a deep eutectic solvent (DES) to enhance its adsorption capability and mechanical strength for the removal of brilliant green (BG) dye. Batch adsorption experiments, machin...
High-throughput point-of-care serum iron testing utilizing machine learning-assisted deep eutectic solvent fluorescence detection platform.
Journal of colloid and interface science
Nov 17, 2024
In this study, a high-throughput point-of-care testing (HT-POCT) system for detecting serum iron was developed using a hydrophobic deep eutectic solvent (HDES) fluorescence detection platform. This machine learning-assisted portable platform enables ...
Intelligence computational analysis of letrozole solubility in supercritical solvent via machine learning models.
Scientific reports
Sep 17, 2024
Supercritical fluids (SCFs) can be used to prepare drugs nanoparticles with improved solubility. SCFs have shown superior advantages in pharmaceutical industry as an environmentally friendly alternative to toxic/harmful organic solvents. They possess...
A comprehensive study of pharmaceutics solubility in supercritical solvent through diverse thermodynamic and hybrid Machine learning approaches.
International journal of pharmaceutics
Aug 11, 2024
The pharmaceutical industry is increasingly drawn to the research of innovative drug delivery systems through the use of supercritical CO (scCO)-based techniques. Measuring the solubility of drugs in scCO at varying conditions is a crucial parameter ...
AttenGpKa: A Universal Predictor of Solvation Acidity Using Graph Neural Network and Molecular Topology.
Journal of chemical information and modeling
Jul 9, 2024
Rapid and accurate calculation of acid dissociation constant (p) is crucial for designing chemical synthesis routes, optimizing catalysts, and predicting chemical behavior. Despite recent progress in machine learning, predicting solvation acidity, es...
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