نتایج جستجو برای: octanolwater partition coefficient

تعداد نتایج: 203875  

2011
Mahmut Hekim Umut Orhan

Data clustering method is a process of putting similar data into groups. A clustering method partitions a data set into several groups such that the similarity within a group is larger than among groups. It has been playing an important role in solving many problems in image processing and pattern recognition. In this paper, a new method called hybrid clustering method is obtained by the most r...

Journal: :Journal of molecular modeling 2010
Lorentz Jäntschi Sorana D Bolboacă Radu E Sestraş

A genetic algorithm was developed and assessed in order to select pairs of proper structural descriptors able to estimate and predict octanol-water partition coefficients of polychlorinated biphenyls (PCBs). The molecular descriptors family was calculated for a sample of 206 PCBs. The problem of searching for the proper descriptors in order to identify structure-activity relationships was trans...

2012
Hui-Jin Sung Seong-Ho Ok Jin-Young Sohn Yong Hyeok Son Jun Kyu Kim Soo Hee Lee Jeong Yeol Han Dong Hoon Lim Il-Woo Shin Heon-Keun Lee Young-Kyun Chung Mun-Jeoung Choi Ju-Tae Sohn

Aminoamide local anesthetics induce vasoconstriction in vivo and in vitro. The goals of this in vitro study were to investigate the potency of local anesthetic-induced vasoconstriction and to identify the physicochemical property (octanol/buffer partition coefficient, pKa, molecular weight, or potency) of local anesthetics that determines their potency in inducing isolated rat aortic ring contr...

2005

The toxicity and time-dependent sorption of three hydrophobic organic chemicals to Rhodococcus rhodochrous bacteria were investigated. In experiments, environmentally relevant concentrations of pentachlorophenol (PCP), hexachlorobenzene (HCB), and dichlorobiphenyl (DPCB) were applied to living (both growing and nongrowing) bacteria as well as to dead bacteria. For PCP (an ionizing chemical), ba...

2007
Stephanie R. Dungan Susan E. Ebeler

A solid-phase microextraction (SPME) procedure was evaluated for its application in measuring solute release in the headspace (HS) and in the liquid phase (DI) from emulsified and nanostructured materials. Limonene, a hydrophobic flavor compound present in many foods and beverages, was used as a model solute for evaluating the SPME method. Sampling conditions, including SPME fiber type, samplin...

Journal: :Math. Comput. 1999
Peter Oswald

We determine the worst case behavior of the standard BPX-preconditioner for elliptic problems with arbitrary coefficient jumps along the boundaries of the coarsest partition. The counterexamples are also useful for other problems.

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