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

Journal of Chemical Information and Modeling, 2008-11, Vol.48 (11), p.2140-2145

2008

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Octanol/Air Partition CoefficientA General-Purpose Fragment Model to Predict Log K oa from Molecular Structure

Environmental science & technology, 2023-01, Vol.57 (2), p.976-984

2023

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Organic chemicals jeopardize the health of freshwater ecosystems on the continental scale

Proceedings of the National Academy of Sciences - PNAS, 2014-07, Vol.111 (26), p.9549-9554

2014

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Henry’s Law ConstantA General-Purpose Fragment Model to Predict Log K aw from Molecular Structure

Environmental science & technology, 2023-01, Vol.57 (1), p.160-167

2023

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Fish Embryo Toxicity Test: Identification of Compounds with Weak Toxicity and Analysis of Behavioral Effects To Improve Prediction of Acute Toxicity for Neurotoxic Compounds

Environmental science & technology, 2015-06, Vol.49 (11), p.7002-7011

2015

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Quantitative Read-Across for Predicting the Acute Fish Toxicity of Organic Compounds

Environmental science & technology, 2011-05, Vol.45 (10), p.4616-4622

2011

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Chemical Domain of QSAR Models from Atom-Centered Fragments

Journal of chemical information and modeling, 2009-12, Vol.49 (12), p.2660-2669

2009

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Effects of Pesticides Monitored with Three Sampling Methods in 24 Sites on Macroinvertebrates and Microorganisms

Environmental science & technology, 2011-02, Vol.45 (4), p.1665-1672

2011

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Micropollutants in European rivers: A mode of action survey to support the development of effect-based tools for water monitoring

Environmental toxicology and chemistry, 2016-08, Vol.35 (8), p.1887-1899

2016

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Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Chemical Substances from Molecular Structure

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-09, Vol.113 (37), p.10104-10112

2009

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Tautomer Identification and Tautomer Structure Generation Based on the InChI Code

Journal of chemical information and modeling, 2010-07, Vol.50 (7), p.1223-1232

2010

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

Journal of Chemical Information and Modeling, 2009-04, Vol.49 (4), p.956-962

2009

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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

The Science of the total environment, 2011-05, Vol.409 (11), p.2064-2077

2011

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

Environmental science & technology, 2023-01, Vol.57 (2), p.976-984

2023

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In silico bioavailability triggers applied to direct and indirect thyroid hormone disruptors

Chemosphere (Oxford), 2024-01, Vol.348, p.140611-140611, Article 140611

2024

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Occurrence and Toxicity of 331 Organic Pollutants in Large Rivers of North Germany over a Decade (1994 to 2004)

Environmental science & technology, 2011-07, Vol.45 (14), p.6167-6174

2011

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Indirect Photolysis of Organic Compounds: Prediction of OH Reaction Rate Constants through Molecular Orbital Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-11, Vol.112 (45), p.11391-11399

2008

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Henry's Law Constant─A General-Purpose Fragment Model to Predict Log Kaw from Molecular Structure

Environmental science & technology, 2023-01, Vol.57 (1), p.160-167

2023

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PBT assessment under REACH: Screening for low aquatic bioaccumulation with QSAR classifications based on physicochemical properties to replace BCF in vivo testing on fish

The Science of the total environment, 2018-03, Vol.616-617, p.97-106

2018

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Applicability of the fish embryo acute toxicity (FET) test (OECD 236) in the regulatory context of Registration, Evaluation, Authorisation, and Restriction of Chemicals (REACH)

Environmental toxicology and chemistry, 2018-03, Vol.37 (3), p.657-670

2018

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Nontargeted detection and identification of (aromatic) amines in environmental samples based on diagnostic derivatization and LC-high resolution mass spectrometry

Chemosphere (Oxford), 2017-01, Vol.166, p.300-310

2017

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Computational material flow analysis for thousands of chemicals of emerging concern in European waters

Journal of hazardous materials, 2020-10, Vol.397, p.122655-122655, Article 122655

2020

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Contribution of waste water treatment plants to pesticide toxicity in agriculture catchments

Ecotoxicology and environmental safety, 2017-11, Vol.145, p.135-141

2017

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Stepwise Discrimination between Four Modes of Toxic Action of Phenols in the Tetrahymena pyriformis Assay

Chemical research in toxicology, 2003-08, Vol.16 (8), p.974-987

2003

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Charging and Billing in Modern Communications Networks - A Comprehensive Survey of the State of the Art and Future Requirements

IEEE Communications surveys and tutorials, 2012-01, Vol.14 (1), p.170-192

2012

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

Octanol/Air Partition CoefficientA General-Purpose Fragment Model to Predict Log K oa from Molecular Structure

Organic chemicals jeopardize the health of freshwater ecosystems on the continental scale

Henry’s Law ConstantA General-Purpose Fragment Model to Predict Log K aw from Molecular Structure

Fish Embryo Toxicity Test: Identification of Compounds with Weak Toxicity and Analysis of Behavioral Effects To Improve Prediction of Acute Toxicity for Neurotoxic Compounds

Quantitative Read-Across for Predicting the Acute Fish Toxicity of Organic Compounds

Chemical Domain of QSAR Models from Atom-Centered Fragments

Effects of Pesticides Monitored with Three Sampling Methods in 24 Sites on Macroinvertebrates and Microorganisms

Micropollutants in European rivers: A mode of action survey to support the development of effect-based tools for water monitoring

Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Chemical Substances from Molecular Structure

Tautomer Identification and Tautomer Structure Generation Based on the InChI Code

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

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

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

In silico bioavailability triggers applied to direct and indirect thyroid hormone disruptors

Occurrence and Toxicity of 331 Organic Pollutants in Large Rivers of North Germany over a Decade (1994 to 2004)

Indirect Photolysis of Organic Compounds: Prediction of OH Reaction Rate Constants through Molecular Orbital Calculations

Henry's Law Constant─A General-Purpose Fragment Model to Predict Log Kaw from Molecular Structure

PBT assessment under REACH: Screening for low aquatic bioaccumulation with QSAR classifications based on physicochemical properties to replace BCF in vivo testing on fish

Applicability of the fish embryo acute toxicity (FET) test (OECD 236) in the regulatory context of Registration, Evaluation, Authorisation, and Restriction of Chemicals (REACH)

Nontargeted detection and identification of (aromatic) amines in environmental samples based on diagnostic derivatization and LC-high resolution mass spectrometry

Computational material flow analysis for thousands of chemicals of emerging concern in European waters

Contribution of waste water treatment plants to pesticide toxicity in agriculture catchments

Stepwise Discrimination between Four Modes of Toxic Action of Phenols in the Tetrahymena pyriformis Assay

Charging and Billing in Modern Communications Networks - A Comprehensive Survey of the State of the Art and Future Requirements

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