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...
Journal of chemical information and modeling
Feb 15, 2018
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...
International journal of pharmaceutics
Feb 1, 2018
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...
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 ...
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...
Colloids and surfaces. B, Biointerfaces
Dec 16, 2017
Toltrazuril (Tol) is a broad-spectrum anticoccidiosis drug that is widely used in the prevention and treatment of coccidiosis infection in poultry and mammals. However, the drug has poor aqueous solubility (25 °C, 0.41 μg/mL), and its dose escalation...
Journal of chemical information and modeling
Jul 25, 2017
The task of learning an expressive molecular representation is central to developing quantitative structure-activity and property relationships. Traditional approaches rely on group additivity rules, empirical measurements or parameters, or generatio...
International journal of pharmaceutics
Jul 18, 2017
Systematic in-vitro studies have been conducted to determine the ability of a range of 10 potential hydrotropes to improve the apparent aqueous solubility of the poorly water soluble drug, indomethacin. Solubilisation of the drug in the presence of t...
Pharmaceutical development and technology
May 8, 2017
The general solubility equation (GSE) is the state-of-the-art method for estimating the aqueous solubilities of organic compounds. It is an extremely simple equation that expresses aqueous solubility as a function of only two inputs: the octanol-wate...
Journal of chemical information and modeling
Jan 9, 2017
There are little available toxicity data on the vast majority of chemicals in commerce. High-throughput screening (HTS) studies, such as those being carried out by the U.S. Environmental Protection Agency (EPA) ToxCast program in partnership with the...
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