Correlation of Octanol-Water Partition Coefficients with Capacity Factors Measured by Micellar Electrokinetic Chromatography.

Estimation of Octanol-Water Partition Coefficient Using Cationic Gemini Surfactants by Micellar Electrokinetic Chromatography

Mustafa GUZEL1, Cevdet AKBAY2*, Yatzka HOYOS2, David H. AHLSTROM2 1Istanbul Medipol University, International School of Medicine, Department of Medical Pharmacology (Chair), Regenerative and Restrorative Medicine Research Center (REMER) (Molecular Discovery and Development Group), Kavacık Campus, Kavacık/Beykoz-ISTANBUL 34810 2 Department of Chemistry and Physics, Fayetteville State University,...

Estimating Octanol / Water Partition Coefficients by Order Preserving Mappings

Douglas Jay Klein and other researchers have seen that there is a great potential in applying partial order in the field of QSAR. The basic idea is to deduce from order relations among chemicals, properties of the ordered chemicals. Despite the satisfactory results found by Klein’s methods, we think it is worth exploring another feature of the poset of chemicals used in Klein’s approaches, name...

Correlation of psychotomimetic activity of phenethylamines and amphetamines with 1-octanol-water partition coefficients.

In an attempt to relate the hallucinogenic potencies in man of some biologically important amphetamines and phenethylamines, the 1-octanol-water partition coefficients for 11 amphetamines were determined. Using these values and published Hansch pi constants, the log P for 17 additional amines was estimated. It was found that lipophilicity, as measured by the log of the partition coefficient, ma...

Modeling The Capacity Factor of Analytes in Micellar Electrokinetic Chromatography Using Computational Descriptors

       A multiple linear regression model is proposed to calculate capacity factor of  analytes using structural features computed using HyperChem software. The  chemical descriptors of analytes were computed using HyperChem software and  regressed against the experimental capacity factors of analytes collected from the  literature. The absolute average percentage deviation (AARD) and individua...

Micellar electrokinetic chromatography.