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...
Computational intelligence and neuroscience
Mar 27, 2018
The classification and recognition technology of underwater acoustic signal were always an important research content in the field of underwater acoustic signal processing. Currently, wavelet transform, Hilbert-Huang transform, and Mel frequency ceps...
This paper presents a switching PD-based sliding mode control (PD-SMC) method for the 6-degree-of-freedom (DOF) hovering motion of the underwater robot with tilting thrusters. Four thrusters of robot can be tilted simultaneously in the horizontal and...
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...
SAR and QSAR in environmental research
Jan 18, 2018
In this study, a support vector machine (SVM) based multi-species QSAR (quantitative structure-activity relationship) model was developed for predicting the water-plant cuticular polymer matrix membrane (MX) partition coefficient, K of diverse chemic...
Proceedings of the National Academy of Sciences of the United States of America
Jan 16, 2018
Protocell models are used to investigate how cells might have first assembled on Earth. Some, like oil-in-water droplets, can be seemingly simple models, while able to exhibit complex and unpredictable behaviors. How such simple oil-in-water systems ...
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 ...
Determination of heavy metals at trace levels has a great deal of importance due to their undesirable effects on human life. In this study, N,N'-bis (acetyl acetone) ethylenediimine (FeO@SiO-EDN) was synthesized and applied for dispersive solid phase...
Food research international (Ottawa, Ont.)
Dec 14, 2017
This study aims to use ice nucleation proteins (INPs) as a novel approach to improve the efficiency of freeze drying process and investigate the related mechanism of ice morphology. Our results show that INPs can significantly improve freeze drying e...
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