R. Ebert

发表

A new risk assessment approach for the prioritization of 500 classical and emerging organic microcontaminants as potential river basin specific pollutants under the European Water Framework Directive.

W. Brack, G. Schüürmann, R. Kühne, 2011, The Science of the total environment.

Predicting Fate-Related Physicochemical Properties

J. Dearden, G. Schüürmann, R. Kühne, 2007 .

Group contribution methods to estimate water solubility of organic chemicals

Ralph Kühne, Gerrit Schüürmann, G. Schüürmann, 1995 .

Quantitative read-across for predicting the acute fish toxicity of organic compounds.

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2011, Environmental science & technology.

Prediction models for the Abraham hydrogen bond donor strength: comparison of semi-empirical, ab initio, and DFT methods

J. Schwöbel, G. Schüürmann, R. Kühne, 2011 .

Estimation of vapour pressures for hydrocarbons and halogenated hydrocarbons from chemical structure by a neural network

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 1997 .

Inhalation threshold of toxicological concern (TTC) - Structural alerts discriminate high from low repeated-dose inhalation toxicity.

G. Schüürmann, R. Kühne, R. Ebert, 2016, Environment international.

Predicting rate constants of OH radical reactions with organic substances: advances for oxygenated organics through a molecular orbital HF/6-31G** approach

G. Schüürmann, R. Kühne, R. Ebert, 2010 .

Identification of oxidative coupling products of xylenols arising from laboratory-scale phytoremediation.

R. Ebert, T. Górecki, J. Poerschmann, 2015, Chemosphere.

Categorical modeling of the flow pattern of liquid organic compounds between blade electrodes using semiempirical and ab initio quantum chemical descriptors

G. Schüürmann, R. Kühne, Kohei Yoshida, 2004 .

Stepwise discrimination between four modes of toxic action of phenols in the Tetrahymena pyriformis assay.

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2003, Chemical research in toxicology.

Prediction of the sorption of organic compounds into soil organic matter from molecular structure.

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2006, Environmental science & technology.

Prediction of the intrinsic hydrogen bond acceptor strength of chemical substances from molecular structure.

J. Schwöbel, G. Schüürmann, R. Kühne, 2009, The journal of physical chemistry. A.

Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Organic Compounds by Local Molecular Parameters

Ralph Kühne, Johannes Schwöbel, Ralf-Uwe Ebert, 2009, J. Chem. Inf. Model..

Comparative Analysis of QSAR Models for Predicting pKa of Organic Oxygen Acids and Nitrogen Bases from Molecular Structure

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2010, J. Chem. Inf. Model..

External Validation and Prediction Employing the Predictive Squared Correlation Coefficient Test Set Activity Mean vs Training Set Activity Mean

Ralph Kühne, Jingwen Chen, Ralf-Uwe Ebert, 2008, J. Chem. Inf. Model..

Modeling Discrimination between Antibacterial and Non‐Antibacterial Activity based on 3D Molecular Descriptors

Mark T. D. Cronin, Ralph Kühne, Ralf-Uwe Ebert, 2003 .

Inhalation TTC values: A new integrative grouping approach considering structural, toxicological and mechanistic features.

R Kühne, G Schüürmann, S E Escher, 2016, Regulatory toxicology and pharmacology : RTP.

Modeling the H bond donor strength of OH, NH, and CH sites by local molecular parameters

Ralph Kühne, Johannes Schwöbel, Ralf-Uwe Ebert, 2009, J. Comput. Chem..

Prediction of the temperature dependency of Henry's law constant from chemical structure.

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2005, Environmental science & technology.

Structural alerts--a new classification model to discriminate excess toxicity from narcotic effect levels of organic compounds in the acute daphnid assay.

Rolf Altenburger, Ralph Kühne, Matthias Liess, 2005, Chemical research in toxicology.

Application of Neural Networks to Modeling and Estimating Temperature-Dependent Liquid Viscosity of Organic Compounds

Ralf-Uwe Ebert, Gerrit Schüürmann, Takahiro Suzuki, 2001, J. Chem. Inf. Comput. Sci..

Development of Both Linear and Nonlinear Methods To Predict the Liquid Viscosity at 20 C of Organic Compounds

Ralf-Uwe Ebert, Gerrit Schüürmann, Takahiro Suzuki, 1997, J. Chem. Inf. Comput. Sci..

Estimation of Compartmental Half‐lives of Organic Compounds – Structural Similarity versus EPI‐Suite

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2007 .

Chemical Domain of QSAR Models from Atom-Centered Fragments

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2009, J. Chem. Inf. Model..

Acute to chronic ratios in aquatic toxicity—variation across trophic levels and relationship with chemical structure

Ralph Kühne, Jan Ahlers, Ralf-Uwe Ebert, 2006, Environmental toxicology and chemistry.

Tautomer Identification and Tautomer Structure Generation Based on the InChI Code

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2010, J. Chem. Inf. Model..

Inhalation threshold of toxicological concern (TTC) - Structural alerts discriminate high from low repeated-dose inhalation toxicity.

G. Schüürmann, R. Kühne, R. Ebert, 2016, Environment International.

Modeling the H bond donor strength of OH, NH, and CH sites by local molecular parameters

J. Schwöbel, G. Schüürmann, R. Kühne, 2009, J. Comput. Chem..

Prediction of the Dissociation Constant pKa of Organic Acids from Local Molecular Parameters of Their Electronic Ground State

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2011, J. Chem. Inf. Model..

Prediction of Physicochemical Properties of Organic Compounds from 2D Molecular Structure – Fragment Methods vs. LFER Models

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2006 .

Read‐Across Prediction of the Acute Toxicity of Organic Compounds toward the Water Flea Daphnia magna

Werner Brack, Nadin Ulrich, Ralph Kühne, 2013, Molecular Informatics.

External Validation and Prediction Employing the Predictive Squared Correlation Coefficient Test Set Activity Mean vs Training Set Activity Mean

G. Schüürmann, R. Kühne, R. Ebert, 2008, J. Chem. Inf. Model..

Model Selection Based on Structural Similarity-Method Description and Application to Water Solubility Prediction

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann, 2006, J. Chem. Inf. Model..

Prediction of Physicochemical Properties of Organic Compounds from 2D Molecular Structure – Fragment Methods vs. LFER Models

G. Schüürmann, R. Kühne, R. Ebert, 2006 .

Octanol/Air Partition Coefficient─A General-Purpose Fragment Model to Predict Log Koa from Molecular Structure.

G. Schüürmann, R. Kühne, R. Ebert, 2022, Environmental Science and Technology.