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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)
Partnership for the Assessment of Risks from Chemicals
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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Lang, Andrew SID; Bradley, Jean-Claude Abraham model solvent coefficient a.
Published:
Andrew Lang
(
2012-05-28
)
Regression
PredictFromStructure
Lang, Andrew SID; Bradley, Jean-Claude Abraham model solvent coefficient v.
Published:
Andrew Lang
(
2012-05-29
)
Regression
PredictFromStructure
Lang, Andrew SID; Bradley, Jean-Claude Abraham model solvent coefficient s.
Published:
Andrew Lang
(
2012-05-28
)
Regression
PredictFromStructure
Lang, Andrew SID; Bradley, Jean-Claude Abraham descriptor A.
Published:
Andrew Lang
(
2012-06-05
)
Regression
PredictFromStructure
Lang, Andrew SID; Bradley, Jean-Claude Abraham descriptor S.
Published:
Andrew Lang
(
2012-06-05
)
Regression
PredictFromStructure
Lang, Andrew SID; Bradley, Jean-Claude Abraham descriptor E.
Published:
Andrew Lang
(
2012-06-05
)
Regression
PredictFromStructure
Belfield, S. J.; Cronin, M. T. D.; Enoch, S. J.; Firman, J. W. Guidance for Good Practice in the Application of Machine Learning in Development of Toxicological Quantitative Structure-Activity Relationships (QSARs). PLOS ONE, 2023, 18, e0282924.
Published:
Georgios Chrysochoou, Sulev Sild
(
2024-10-21
)
Regression
Piir, G.; Sild, S.; Spilioti, E.; Nikolopoulou, D.; Katsanou, E.; Langezaal, I.; Maran, U. Classification of Thyroid Peroxidase (TPO) Inhibitors Using Transfer Learning with SMILES Embeddings. Chemical Research in Toxicology 2026.
Published:
Geven Piir, Sulev Sild, Eliana Spilioti, Dimitra Nikolopoulou, Effrosyni Katsanou, Ingrid Langezaal, Uko Maran
(
2026-05-27
)
HumanHealth
Classification
PredictFromStructure
Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2024, 347, 140671.
Published:
Geven Piir, Sulev Sild, Uko Maran
(
2023-09-14
)
HumanHealth
Classification
PredictFromStructure
Kotli, M.; Piir, G.; Maran, U. Predictive Modeling of Pesticides Reproductive Toxicity in Earthworms Using Interpretable Machine-Learning Techniques on Imbalanced Data. ACS Omega 2025, 10, 4732–4744.
Published:
Mihkel Kotli, Geven Piir, Uko Maran
(
2024-10-09
)
EcoTox
Classification
PredictFromStructure
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