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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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Schultz, T.W.; Tichy, M. Structure-toxicity relationships for unsaturated alcohols to Tetrahymena pyriformis: C5 and C6 analogs and primary propargylic alcohols. Bull. Environ. Contam. Toxicol. 1993, 51, 5, 681–688.
Published:
Villu Ruusmann
(
2012-05-23
)
Regression
Lang, Andrew SID; Bradley, Jean-Claude Abraham model solvent coefficient a.
Published:
Andrew Lang
(
2012-05-28
)
Regression
PredictFromStructure
Papa, E.; Kovarich, S.; Gramatica, P. Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers. QSAR Comb. Sci. 2009, 28, 790–796.
Published:
Geven Piir
(
2015-04-01
)
PhysChem
Regression
Benigni, R.; Bossa, C.; Netzeva, T. I.; Rodomonte, A.; Tsakovska, I. Mechanistic QSAR of aromatic amines: New models for discriminating between homocyclic mutagens and nonmutagens, and validation of models for carcinogens. Environ. Mol. Mutagen. 2007, 48, 754–771.
Published:
Alfonso T. Garcia-Sosa
(
2015-03-23
)
HumanHealth
Regression
QMRF
Daga, P. ADMET Predictor - Bacterial mutagenicity model (MUT_NIHS). 2020.
Published:
Michael Lawless
(
2021-09-02
)
HumanHealth
Classification
QMRF
Schultz, T.W.; Netzeva, T.I.; Roberts, D.W.; Cronin, M.T.D. Structure-Toxicity Relationships for the Effects to Tetrahymena pyriformis of Aliphatic, Carbonyl-Containing, α,β-Unsaturated Chemicals. Chem. Res. Toxicol. 2005, 18, 2, 330–341.
Published:
Villu Ruusmann
(
2012-05-23
)
Regression
Enoch, S.J.; Cronin, M.T.D.; Schultz, T.W.; Madden, J.C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71, 7, 1225–1232.
Published:
Iiris Kahn
(
2014-11-30
)
Regression
QMRF
Gramatica, P.; Pilutti, P.; Papa, E. Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors. Atmos. Environ. 2003, 37, 3115–3124.
Published:
Geven Piir, Sulev Sild
(
2017-05-24
)
EnvironFate
Regression
Bagheri, M.; Borhani, T. N. G.; Zahedi, G. Estimation of flash point and autoignition temperature of organic sulfur chemicals. Energy Convers. Manage. 2012, 58, 185–196.
Published:
Geven Piir
(
2015-01-05
)
PhysChem
Regression
Chen, B.-K.; Liang, M.-J.; Wu, T.-Y.; Wang, H. P. A high correlate and simplified QSPR for viscosity of imidazolium-based ionic liquids. Fluid Phase Equilib. 2013, 350, 37–42.
Published:
Geven Piir
(
2015-04-01
)
PhysChem
Regression
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