Results 81 to 90 of about 1,301,523 (191)

In Situ Measuring Partition Coefficient at Intact Nanoemulsions: A New Application of Single-Entity Electrochemistry. [PDF]

Anal Chem, 2021
Madawala H, Sabaragamuwe SG, Elangovan S, Kim J.   +3 more
europepmc   +1 more source

Exploring the octanol-water partition coefficient dataset using deep learning techniques and data augmentation. [PDF]

Commun Chem, 2021
Ulrich N, Goss KU, Ebert A.
europepmc   +1 more source

Determination of Partition Coefficients of Selected Model Migrants between Polyethylene and Polypropylene and Nanocomposite Polypropylene

Journal of Chemistry, 2016
Studies on nanoparticles have focused the attention of the researchers because they can produce nanocomposites that exhibit unexpected hybrid properties. Polymeric materials are commonly used in food packaging, but from the standpoint of food safety, one
Pablo Otero-Pazos, David A. Pereira de Abreu, Raquel Sendon, Ana Rodriguez Bernaldo de Quiros, Inmaculada Angulo, Jose M. Cruz, Perfecto Paseiro-Losada   +6 more
doaj   +1 more source

Unbound Brain-to-Plasma Partition Coefficient, K_p,uu,brain-a Game Changing Parameter for CNS Drug Discovery and Development. [PDF]

Pharm Res, 2022
Loryan I, Reichel A, Feng B, Bundgaard C, Shaffer C, Kalvass C, Bednarczyk D, Morrison D, Lesuisse D, Hoppe E, Terstappen GC, Fischer H, Di L, Colclough N, Summerfield S, Buckley ST, Maurer TS, Fridén M.   +17 more
europepmc   +1 more source

Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method. [PDF]

J Comput Chem, 2023
Sun Y, Hou T, He X, Man VH, Wang J.
europepmc   +1 more source

Searching a multivariate partition space using weighted MAX-SAT [PDF]

, 2009
Because of the huge number of partitions of even a moderately sized dataset, even when Bayes factors have a closed form, a comprehensive search for the highest scoring (MAP) partition is usually impossible.
Cussens, James, Liverani, Silvia, Smith, J. Q.   +2 more
core  

Alkane/Water Partition Coefficient Calculation Based on the Modified AM1 Method and Internal Hydrogen Bonding Sampling Using COSMO-RS. [PDF]

J Chem Inf Model, 2021
Petris PC, Becherer P, Fraaije JGEM.
europepmc   +1 more source

A theoretical underpinning of the pesticide Groundwater Ubiquity Score (GUS)

Journal of Hydrology and Hydromechanics
The Groundwater Ubiquity Score (GUS) is widely used to indicate the relative leachability of pesticides based on the soil half-life and the adsorption partition coefficient.
Steenhuis Tammo S., Brindt Naaran, Pacenka Steven, Richards Brian K., Parlange J.-Yves, Hassanpour Bahareh   +5 more
doaj   +1 more source

Cost allocation in partition functionform games [PDF]

A cooperative game in partition function form is proposed for a cost allocation problem. The game describes a real situation in which a payoff of any coalition does not only depend on the players in the coalition but also on the coalition structure of ...
Lech Krus
core  

Comment on “Parameterizations of Clinopyroxene—Melt Trace Element Partition Coefficients” by Bédard, J. H. (2014)

Geochemistry, Geophysics, Geosystems
A better understanding of how trace element partition coefficients vary with melt and mineral composition, temperature, pressure, oxygen fugacity and fluid composition is essential to geochemical modeling of magmatic rocks.
Jean H. Bédard
doaj   +1 more source