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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 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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Narasimhan, B.; Ansari, A.M.; Singh, N.; Mourya, V.; Dhakee, A.S. A QSAR Approach for the Prediction of Stability of Benzoglycolamide Ester Prodrugs. Chem. Pharm. Bull. 2006, 54, 1067–1071.
Published:
Geven Piir
(
2015-04-01
)
PhysChem
Regression
Schultz, T.W.; Carlson, R.E.; Cronin, M.T.D.; Hermens, J.L.M.; Johnson, R.; O’Brien, P.J.; Roberts, D.W.; Siraki, A.; Wallace, K.B.; Veith, G.D. A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity. SAR QSAR Environ. Res. 2006, 17, 413–428.
Published:
Alfonso T. Garcia-Sosa
(
2015-03-29
)
HumanHealth
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
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
Puzyn, T.; Rasulev, B.; Gajewicz, A.; Hu, X.; Dasari, T. P.; Michalkova, A.; Hwang, H.; Toropov, A.; Leszczynska, D.; Leszczynski, J. Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles. Nat. Nanotechnol. 2011, 6, 3, 175–178.
Published:
Geven Piir
(
2014-10-10
)
Regression
Veith, G.D.; Petkova, E.P.; Wallace, K.B. A baseline inhalation toxicity model for narcosis in mammals. SAR QSAR Environ. Res. 2009, 20, 5-6, 567–578.
Published:
Alfonso T. Garcia-Sosa
(
2014-12-16
)
HumanHealth
Regression
Saldana, D. A.; Starck, L.; Mougin, P.; Rousseau, B.; Pidol, L.; Jeuland, N.; Creton, B. Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods. Energy Fuels 2011, 25, 9, 3900–3908.
Published:
Geven Piir
(
2014-11-07
)
PhysChem
Regression
Modarresi, H.; Modarress, H.; Dearden, J.C. Henry’s law constant of hydrocarbons in air–water system: The cavity ovality effect on the non-electrostatic contribution term of solvation free energy. SAR QSAR Environ. Res. 2005, 16, 461–482.
Published:
Geven Piir
(
2015-04-01
)
PhysChem
Regression
Singh, A. QSAR for the organophosphate-induced inhibition and ‘aging’ of the enzyme neuropathy target esterase (NTE). SAR QSAR Environ. Res. 2001, 12, 275-295.
Published:
Alfonso T. Garcia-Sosa
(
2015-04-28
)
HumanHealth
Regression
Wang, Z.-W.; Feng, J.-L.; Wang, H.-J.; Cui, Z.-G.; Li, G.-Z. Effectiveness of Surface Tension Reduction by Nonionic Surfactants with Quantitative Structure-Property Relationship Approach. J. Dispersion Sci. Technol. 2005, 26, 441–447.
Published:
Geven Piir
(
2015-04-01
)
PhysChem
Regression
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