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List of works by Kai-Uwe Goss

3D-QSAR predictions for bovine serum albumin-water partition coefficients of organic anions using quantum mechanically based descriptors.

scientific article

3D-QSAR predictions for α-cyclodextrin binding constants using quantum mechanically based descriptors.

scientific article published on 30 November 2016

Applications of polyparameter linear free energy relationships in environmental chemistry

scientific article published on 17 October 2014

COSMOperm: Mechanistic Prediction of Passive Membrane Permeability for Neutral Compounds and Ions and Its pH Dependence

scientific article published on 13 April 2020

Comment on "Application of the Activity Framework for Assessing Aquatic Ecotoxicology Data for Organic Chemicals".

scientific article published on 8 March 2016

Comment on "Assessment of PDMS-water partition coefficients: implications for passive environmental sampling of hydrophobic compounds"

scientific article published on 21 October 2010

Comments on "A simple method for estimating in vitro air-tissue and in vivo blood-tissue partition coefficients" by Abraham, Gala, Ibrahim, Acree and Liu

scientific article published on 17 November 2014

Determination of oil-water partition coefficients of polar compounds: silicone membrane equilibrator vs. SPME passive sampler

scientific article published on 12 January 2013

Determination of polyparameter linear free energy relationship (pp-LFER) substance descriptors for established and alternative flame retardants

scientific article

Elimination half-life as a metric for the bioaccumulation potential of chemicals in aquatic and terrestrial food chains

scientific article published on 23 May 2013

Environmental Sorption Behavior of Ionic and Ionizable Organic Chemicals

scientific article published on 21 November 2019

Equilibrium Sorption of Structurally Diverse Organic Ions to Bovine Serum Albumin.

scientific article

Equilibrium partition coefficients of diverse polar and nonpolar organic compounds to polyoxymethylene (POM) passive sampling devices

scientific article published on 27 October 2011

Evaluating coal tar-water partitioning coefficient estimation methods and solute-solvent molecular interactions in tar phase

scientific article published on 22 July 2008

Evaluating dissolved organic carbon-water partitioning using polyparameter linear free energy relationships: Implications for the fate of disinfection by-products

scientific article published on 11 April 2012

Experimental determination of polyparameter linear free energy relationship (pp-LFER) substance descriptors for pesticides and other contaminants: new measurements and recommendations

scientific article published on 22 November 2013

Exploring 3D structural influences of aliphatic and aromatic chemicals on α-cyclodextrin binding.

scientific article published on 16 January 2016

General model for estimating partition coefficients to organisms and their tissues using the biological compositions and polyparameter linear free energy relationships

scientific article

In Vitro- in Vivo Extrapolation of Hepatic Metabolism for Different Scenarios - a Toolbox

scientific article published on 12 October 2018

Ion exchange membranes as novel passive sampling material for organic ions: application for the determination of freely dissolved concentrations

scientific article published on 24 October 2014

Measurements and predictions of hexadecane/air partition coefficients for 387 environmentally relevant compounds

scientific article published in December 2011

Membrane/Water Partitioning and Permeabilities of Perfluoroalkyl Acids and Four of their Alternatives and the Effects on Toxicokinetic Behavior

scientific article published on 06 April 2020

More of EPA’s SPARC Online Calculator−The Need for High-Quality Predictions of Chemical Properties

scientific article published on 01 June 2010

Partition coefficients of four perfluoroalkyl acid alternatives between bovine serum albumin (BSA) and water in comparison to ten classical perfluoroalkyl acids

scientific article published on 02 September 2019

Partitioning of Organic Ions to Muscle Protein: Experimental Data, Modeling, and Implications for in Vivo Distribution of Organic Ions.

scientific article

Partitioning of neutral organic compounds to structural proteins

scientific article published on 5 November 2012

Partitioning of organic chemicals to storage lipids: elucidating the dependence on fatty acid composition and temperature

scientific article published on 16 August 2012

Partitioning of polar and non-polar neutral organic chemicals into human and cow milk

scientific article

Polyparameter linear free energy models for polyacrylate fiber-water partition coefficients to evaluate the efficiency of solid-phase microextraction.

scientific article published on 25 January 2011

Predicting partition coefficients of Polyfluorinated and organosilicon compounds using polyparameter linear free energy relationships (PP-LFERs).

scientific article published on 11 February 2014

Predicting storage-lipid water partitioning of organic solutes from molecular structure

scientific article published on 20 April 2015

Predicting the Gas/Particle Distribution of SVOCs in the Indoor Environment Using Poly Parameter Linear Free Energy Relationships

scientific article published on 12 February 2019

Prediction of Phospholipid-Water Partition Coefficients of Ionic Organic Chemicals Using the Mechanistic Model COSMOmic

scientific article published on 12 December 2014

Prediction of Unbound Fractions for <i>in Vitro</i>-<i>in Vivo</i> Extrapolation of Biotransformation Data

scientific article published on 08 January 2021

Prediction of partition coefficients for complex environmental contaminants: Validation of COSMOtherm, ABSOLV, and SPARC.

scientific article published on 14 May 2014

Response to Comment on “More of EPA’s SPARC Online Calculator—The Need for High Quality Predictions of Chemical Properties”

Response to the comment on "partitioning of polar and non-polar neutral organic chemicals into human and cow milk".

scientific article published on 3 October 2013

Salting-out effect in aqueous NaCl solutions: trends with size and polarity of solute molecules.

scientific article published on 17 January 2012

Serum albumin binding of structurally diverse neutral organic compounds: data and models

scientific article

Volatilization of pesticides from the bare soil surface: evaluation of the humidity effect

scientific article published on 01 May 2013

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