AIMC Topic: Solubility

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Development and validation of a sensitive method for alkyl sulfonate genotoxic impurities determination in drug substances using gas chromatography coupled to triple quadrupole mass spectrometry.

Journal of pharmaceutical and biomedical analysis
Alkyl sulfonate esters have been widely concerned as genotoxic impurities (GTIs). A gas chromatography triple-quadrupole mass spectrometry (GC-MS/MS) method has been developed for trace determination of 9 commonly encountered sulfonate esters in drug...

Sparse Generative Topographic Mapping for Both Data Visualization and Clustering.

Journal of chemical information and modeling
To achieve simultaneous data visualization and clustering, the method of sparse generative topographic mapping (SGTM) is developed by modifying the conventional GTM algorithm. While the weight of each grid point is constant in the original GTM, it be...

Smart systems for determination of drug's solubility.

Drug development and industrial pharmacy
The solubility of drugs is a crucial physicochemical property in the drug discovery or development process and for improving the bioavailability of drugs. There are various methods for evaluating the solubility of drugs including manual measurement m...

Physicochemical characterization of an arabinoxylan-rich fraction from brewers' spent grain and its application as a release matrix for caffeine.

Food research international (Ottawa, Ont.)
The brewers' spent grain is a by-product generated during brewery process and is a potential source for arabinoxylans (AX) extraction. In the present work, the extraction and characterization of an arabinoxylan-rich fraction from brewers' spent grain...

Protein Solvent-Accessibility Prediction by a Stacked Deep Bidirectional Recurrent Neural Network.

Biomolecules
Residue solvent accessibility is closely related to the spatial arrangement and packing of residues. Predicting the solvent accessibility of a protein is an important step to understand its structure and function. In this work, we present a deep lear...

TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility.

Journal of computational chemistry
Aqueous solubility and partition coefficient are important physical properties of small molecules. Accurate theoretical prediction of aqueous solubility and partition coefficient plays an important role in drug design and discovery. The prediction ac...

Discussion on Regression Methods Based on Ensemble Learning and Applicability Domains of Linear Submodels.

Journal of chemical information and modeling
To develop a new ensemble learning method and construct highly predictive regression models in chemoinformatics and chemometrics, applicability domains (ADs) are introduced into the ensemble learning process of prediction. When estimating values of a...

Statistical moments in modelling of swelling, erosion and drug release of hydrophilic matrix-tablets.

International journal of pharmaceutics
Statistical moments were evaluated as suitable parameters for describing swelling and erosion processes (along with drug release) in hydrophilic controlled release matrix tablets. The effect of four independent formulation variables, corresponding to...

Improving Dissolution Rate of Carbamazepine-Glutaric Acid Cocrystal Through Solubilization by Excess Coformer.

Pharmaceutical research
PURPOSE: The use of soluble cocrystals is a promising strategy for delivering poorly soluble drugs. However, precipitation of poorly soluble crystal form during dissolution hinders the successful tablet development of cocrystals. This work was aimed ...

ω-3 Fatty Acid Synergized Novel Nanoemulsifying System for Rosuvastatin Delivery: In Vitro and In Vivo Evaluation.

AAPS PharmSciTech
The present study was undertaken to improve rosuvastatin (RSV) bioavailability and pharmacological response through formation of SNES using Perilla frutescens oil as lipid carrier. The composition of oil was estimated by fatty acid methyl ester (FAME...