AIMC Topic: Solvents
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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...
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...
Ecofriendly Extraction of Polyphenols from Leaves Coupled with Response Surface Methodology and Artificial Neural Network-Genetic Algorithm.
Molecules (Basel, Switzerland)
May 28, 2025
This study aimed to optimize a novel deep eutectic solvents (DESs)-assisted extraction process for polyphenols in the leaves of (AGPL) with response surface methodology (RSM) and a genetic algorithm-artificial neural network (GA-ANN). Under the infl...
CrypToth: Cryptic Pocket Detection through Mixed-Solvent Molecular Dynamics Simulations-Based Topological Data Analysis.
Journal of chemical information and modeling
May 22, 2025
Some functional proteins undergo conformational changes to expose hidden binding sites when a binding molecule approaches their surface. Such binding sites are called cryptic sites and are important targets for drug discovery. However, it is still di...
AI-powered insights into the UniSpray ionization in supercritical fluid chromatography-mass spectrometry.
Journal of chromatography. A
May 16, 2025
Selection of the optimal makeup solvent composition is critical for achieving sensitive and reproducible ionization in supercritical fluid chromatography-mass spectrometry (SFC-MS). This study investigated the ionization processes in a spray-based io...
Optimization of polyphenols extraction by deep eutectic solvent from broccoli stem and characterization of their composition and antioxidative effects.
Scientific reports
May 8, 2025
Broccoli stem is known to possess abundant polyphenols. To efficiently extract polyphenols from broccoli stems, we herein describe an updated deep eutectic solvent extraction (DESE) method. Response surface modeling was utilized for optimization of t...
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...
A Flexible and Adhesive Strain Sensor Based on Deep Eutectic Solvents for Deep Learning-Assisted Signal Recognition.
ACS applied materials & interfaces
Apr 24, 2025
Flexible wearable electronic devices have garnered significant interest due to their inherent properties, serving as replacements for traditional rigid metal conductors in personal healthcare monitoring, human motion detection, and sensory skin appli...
Toxicological evaluation of Artocarpus lacucha ethyl acetate extract: in vitro and in vivo assessment.
Journal of ethnopharmacology
Apr 12, 2025
ETHNOPHARMACOLOGICAL RELEVANCE: Artocarpus lacucha Buch. -Ham. (syn. Artocarpus lakoocha) (A. lacucha), is a tropical fruit tree and a member of the Moraceae family. Fruit, bark, foliage, and roots of A. lacucha are broadly utilized in folklore medic...
Safety assessment of the ethanolic extract of Siparuna guianensis: Cell viability, molecular risk predictions and toxicity risk for acute and sub-chronic oral ingestion.
Journal of ethnopharmacology
Apr 5, 2025
ETHNOPHARMACOLOGICAL RELEVANCE: The species Siparuna guianensis Aublet (family Siparunaceae) is traditionally used by indigenous peoples and riverine communities in Central and South America to treat migraines, flu, respiratory diseases, fever, pain,...
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