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EURL ECVAM – European Union Reference Laboratory for Alternatives to Animal Testing, Joint Research Centre (Italy)
Ineris - Institut national de l’environnement industriel et des risques (France)
Liverpool John Moores University, Chemoinformatics Research Group (England)
National Institute of Chemistry, Theory Department - Laboratory for Cheminformatics (Slovenia)
Open Notebook Science (USA)
Simulations Plus, Inc. (USA)
University of Belgrade, Department of Pharmaceutical Chemistry, Faculty of Pharmacy (Serbia)
University of Gdansk, Faculty of Chemistry, Laboratory of Environmental Chemometrics (Poland)
University of Insubria, QSAR Research Unit in Environmental Chemistry and Ecotoxicology, (Italy)
University of Tartu, Institute of Chemistry, Molecular Technology (Estonia)
Vilnius University, Institute of Biotechnology (Lithuania)
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Prana, V.; Fayet, G.; Rotureau, P.; Adamo, C. Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds. J. Hazard. Mater. 2012, 235-236, 169–177.
Published:
Geven Piir
(
2019-09-27
)
PhysChem
Regression
PredictFromStructure
QMRF
Schultz, T.W.; Sparfkin, C.L.; Aptula, A.O. Reactivity-based toxicity modelling of five-membered heterocyclic compounds: Application to Tetrahymena pyriformis. SAR QSAR Environ. Res. 2010, 7, 8, 681–691.
Published:
Villu Ruusmann
(
2012-05-23
)
Regression
Bajot, F.; Cronin, M.T.D.; Roberts, D.W.; Schultz, T.W. Reactivity and aquatic toxicity of aromatic compounds transformable to quinone-type Michael acceptors. SAR QSAR Environ. Res. 2011, 1, 2, 51–65.
Published:
Villu Ruusmann
(
2012-05-23
)
Dataset
Netzeva, T.I.; Schultz, T.W. QSARs for the aquatic toxicity of aromatic aldehydes from Tetrahymena data. Chemosphere 2005, 61, 11, 1632–1643.
Published:
Villu Ruusmann
(
2012-05-23
)
Regression
Schultz, T.W.; Moulton, B.A. Structure-activity relationships for nitrogen-containing aromatic molecules. Environ. Toxicol. Chem. 1985, 4, 3, 353–359.
Published:
Villu Ruusmann
(
2012-05-23
)
Regression
Lang, Andrew SID; Bradley, Jean-Claude Abraham model solvent coefficient e.
Published:
Andrew Lang
(
2012-05-28
)
Regression
PredictFromStructure
Daga, P. ADMET Predictor - Bacterial mutagenicity model (MUT_m102+wp2). 2020.
Published:
Michael Lawless
(
2021-09-02
)
HumanHealth
Classification
QMRF
Gajewicz, A.; Haranczyk, M.; Puzyn, T. Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?. Atmos. Environ. 2010, 44, 11, 1428–1436.
Published:
Geven Piir
(
2014-10-24
)
PhysChem
Regression
Akers, K.S.; Sinks, G.D.; Schultz, T.W. Structure-toxicity relationships for selected halogenated aliphatic chemicals. Environ. Toxicol. Pharmacol. 1999, 7, 1, 33–39.
Published:
Villu Ruusmann
(
2012-05-23
)
Regression
Cronin, M.T.D.; Manga, N.; Seward, J.R.; Sinks, G.D.; Schultz, T.W. Parametrization of Electrophilicity for the Prediction of the Toxicity of Aromatic Compounds. Chem. Res. Toxicol. 2001, 14, 11, 1498–1505.
Published:
Villu Ruusmann
(
2012-05-23
)
Regression
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