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DYNAMEX: A Time-Resolved Model for Predicting Distribution of Chemicals in In Vitro Cell Assays. [PDF]
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Modeling of partition coefficient [PDF]
We use graph - teoretical approach to modeling of 1-octanol/water partition coefficient. Forty graph - teoretical indices were tested.
Gjorgjeska, Biljana
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A new perspective of modified partition coefficient
Abstract We begin by showing that the modified partition coefficient (MPC) is an average Euclidean distance between membership degrees and the centre of the fuzzy c-partition. Subsequently, we construct alternative MPCs using several other measures of dissimilarity and examine how differently they perform when compared with the original proposal ...
Suleman, A.
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Octanol/Water Partition Coefficients of Chloronaphthalenes
Journal of Environmental Science and Health, Part A, 2005Computational n-octanol/water partition coefficients data for 75 chloronaphthalene congeners based on the Ghose, Pritchet, and Crippen algorithm; the Moriguchi method; and two QSPR models with principal component regression and partial least-squares (PLS) regression calculations are presented.
Tomasz Puzyn, Jerzy Falandysz
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A modified partition coefficient
WCC 2000 - ICSP 2000. 2000 5th International Conference on Signal Processing Proceedings. 16th World Computer Congress 2000, 2002Linkens and Chen (1999) introduced a cluster validity function, which modified Bezdek's partition entropy. In this paper, according to their idea, a new cluster validity function, which modified Bezdek's partition coefficient, is defined. Some properties are studied and comparison experiments with partition coefficients are given.
null Jiu-Lun Fan +2 more
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The Measurement of Partition Coefficients
Quantitative Structure-Activity Relationships, 1988AbstractPartition coefficient (P) is a widely‐measured property, yet there is considerable variation among published log P values. This paper examines the factors that can affect the measurement of partition coefficient, and makes recommendations as to good practice.
John C. Dearden, Gaynor M. Bresnen
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Partition Coefficients and Biological Activities
Nature, 1963IT was found1 some time ago that the toxicities Ct of many physically toxic compounds could be estimated by the equation: where k is a constant equal to 0.012, CB is a measure of the intensity of the toxicity, and P is the parachor, which is used as a measure of molecular volume ...
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Variation of Partition Coefficient
Nature, 1965MATSUI and I have estimated partition coefficients for some elements1–4 and discussed the significance5,6 of estimating them. More recently7, I have estimated partition coefficients for rubidium and strontium. However, we have little knowledge about what conditions affect partition coefficients and to what extent they can be influenced. For example, it
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