Results 331 to 340 of about 2,124,766 (394)

Non-Aqueous Solubilities

Nature, 1964
Solubilities of Inorganic and Organic Compounds Edited by Prof. H. Stephen and Dr. T. Stephen. Vol. 1: Binary Systems, Part 2. Pp. viii + 963–1933. (London and New York: Pergamon Press, 1963.) 250s. net.
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Ensemble Geometric Deep Learning of Aqueous Solubility

Journal of Chemical Information and Modeling, 2023
Geometric deep learning is one of the main workhorses for harnessing the power of big data to predict molecular properties such as aqueous solubility, which is key to the pharmacokinetic improvement of drug candidates. Two ensembles of graph neural network architectures were built, one based on spectral convolution and the other on spatial convolution.
Mohammad M. Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, William L. Jorgensen   +3 more
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In Silico Prediction of Aqueous Solubility: The Solubility Challenge

Journal of Chemical Information and Modeling, 2009
The dissolution of a chemical into water is a process fundamental to both chemistry and biology. The persistence of a chemical within the environment and the effects of a chemical within the body are dependent primarily upon aqueous solubility. With the well-documented limitations hindering the accurate experimental determination of aqueous solubility,
M, Hewitt, M T D, Cronin, S J, Enoch, J C, Madden, D W, Roberts, J C, Dearden   +5 more
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Aqueous solubility of polychlorinated biphenyls

Chemosphere, 1980
Abstract Aqueous solubility data for chlorinated biphenyls are compiled and a correlation developed from which the isomer solubility can be estimated from melting point and total surface area.
D. Mackay, R. Mascarenhas, W.Y. Shiu, S.C. Valvani, S.H. Yalkowsky   +4 more
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Aqueous Solubility and Insolubility

2008
Publisher Summary This chapter focuses on aqueous solubility and insolubility. The correlation of aqueous solubility with a solute's interfacial tension with water is more useful with solutes that have a known, finite solubility, than with extremely hydrophilic polymeric solutes.
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Modeling the Aqueous Solubility of Aliphatic Alcohols

SAR and QSAR in Environmental Research, 1998
A comparison of several structure-properly models for predicting the solubility of aliphatic alcohols in water is presented. Models based on the valence vertex-connectivity indices are better than models based on weighted edge-connectivity indices or vertex-connectivity indices or parameters related to the molecular surface area.
Nikolić, Sonja, Trinajstić, Nenad
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Random Forest Models To Predict Aqueous Solubility

Journal of Chemical Information and Modeling, 2006
Random Forest regression (RF), Partial-Least-Squares (PLS) regression, Support Vector Machines (SVM), and Artificial Neural Networks (ANN) were used to develop QSPR models for the prediction of aqueous solubility, based on experimental data for 988 organic molecules.
Palmer, D. S., O'Boyle, N. M., Glen, R. C., Mitchell, J. B.   +3 more
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Aqueous solubilities of weathered northern crude oils

Bulletin of Environmental Contamination and Toxicology, 1976
A knowledge of the aqueous solubility of crude oils is important in the assessment of the environmental effects of oil spills. The applicaton of the gas stripping method to the determination of the aqueous solubility of weathered crude oils is described here and some environmental implications discussed.
D, Mackay, W Y, Shiu
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Butenolide Endothelin Antagonists with Improved Aqueous Solubility

Journal of Medicinal Chemistry, 1999
Continued development around our ETA-selective endothelin (ET) antagonist 1 (CI-1020) has led to the synthesis of analogues with improved aqueous solubility profiles. Poor solubility characteristics displayed by 1 required a complex buffered formulation in order to conduct iv studies.
W C, Patt, X M, Cheng, J T, Repine, C, Lee, B R, Reisdorph, M A, Massa, A M, Doherty, K M, Welch, J W, Bryant, M A, Flynn, D M, Walker, R L, Schroeder, S J, Haleen, J A, Keiser   +13 more
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Aqueous Solubility of CL-20

2005
Abstract : The Energetics and Warheads Division of the U.S. Army Armament Research, Development and Engineering Center has been involved in the development of CL-20. An aqueous solubility study was performed to better understand the fate and transport of CL-20 through environmental systems.
Steven Nicolich, Wendy Balas, C. Christodoulatos, M. Sidhoum, P. Karakaya   +4 more
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