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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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Lang, Andrew SID; Bradley, Jean-Claude Abraham descriptor S.
Published:
Andrew Lang
(
2012-06-05
)
Regression
DescriptorCalculation
Lang, Andrew SID; Bradley, Jean-Claude Abraham descriptor E.
Published:
Andrew Lang
(
2012-06-05
)
Regression
DescriptorCalculation
Toots, K. M.; Sild, S.; Leis, J.; Acree Jr., William E.; Maran, U. The Quantitative Structure-Property Relationships for the gas-ionic liquid partition coefficient of a large variety of organic compounds in three ionic liquids. J. Mol. Liq. 2021, 343, 117573.
Published:
Karl Marti Toots, Sulev Sild, Jaan Leis, Acree Jr., William E., Uko Maran
(
2021-09-20
)
Regression
DescriptorCalculation
Piir, G.; Sild, S.; Maran, U. Classifying bio-concentration factor with random forest algorithm, influence of the bio-accumulative vs. non-bio-accumulative compound ratio to modelling result, and applicability domain for random forest model. SAR QSAR Environ. Res. 2014, 25, 967-981.
Published:
Geven Piir, Sulev Sild, Uko Maran
(
2014-07-30
)
EnvironFate
Classification
DescriptorCalculation
Prana, V.; Rotureau, P.; André, D.; Fayet, G.; Adamo, C. Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic Peroxides. Mol. Inform. 2017, 36, 1700024.
Published:
Geven Piir
(
2020-04-28
)
Regression
DescriptorCalculation
QMRF
Fayet, G.; Rotureau, P. Development of simple QSPR models for the impact sensitivity of nitramines. J. Loss Prev. Process Ind. 2014, 30, 1–8.
Published:
Geven Piir
(
2020-04-30
)
PhysChem
Regression
DescriptorCalculation
QMRF
Könemann, H. Quantitative structure-activity relationships in fish toxicity studies Part 1: Relationship for 50 industrial pollutants. Toxicology 1981, 19, 3, 209–221.
Published:
Uko Maran
(
2013-09-13
)
EcoTox
Regression
DescriptorCalculation
Lang, Andrew SID; Bradley, Jean-Claude ONS Melting Point Model 010.
Published:
Andrew Lang
(
2012-06-14
)
PhysChem
Regression
DescriptorCalculation
Lang, Andrew SID; Bradley, Jean-Claude Abraham descriptor B.
Published:
Andrew Lang
(
2012-06-05
)
Regression
DescriptorCalculation
Lang, Andrew SID; Bradley, Jean-Claude Abraham descriptor V.
Published:
Andrew Lang
(
2012-06-05
)
Regression
DescriptorCalculation
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