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SAR and QSAR in Environmental Research Volume 25, 2014 - Issue 12
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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 modelFootnote

G. PiirInstitute of Chemistry, University of Tartu, Tartu, Estonia
,
S. SildInstitute of Chemistry, University of Tartu, Tartu, EstoniaCorrespondence[email protected]
&
U. MaranInstitute of Chemistry, University of Tartu, Tartu, Estonia
Pages 967-981 | Received 10 Jun 2014, Accepted 03 Aug 2014, Published online: 06 Dec 2014

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L. Bertato, O. Taboureau, N. Chirico & E. Papa. (2022) Classification-based QSARs for predicting dietary biomagnification in fish. SAR and QSAR in Environmental Research 33:4, pages 259-271.
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Articles from other publishers (12)

Mihkel Kotli, Geven Piir & Uko Maran. (2024) Pesticide effect on earthworm lethality via interpretable machine learning. Journal of Hazardous Materials 461, pages 132577.
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Geven Piir, Sulev Sild & Uko Maran. (2024) Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 347, pages 140671.
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Huixia Zhang & Ping Xie. (2023) The mechanisms of microcystin-LR-induced genotoxicity and neurotoxicity in fish and mammals: Bibliometric analysis and meta-analysis. Science of The Total Environment 905, pages 167018.
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Bartłomiej Fliszkiewicz & Marcin Sajdak. (2023) Fragments quantum descriptors in classification of bio-accumulative compounds. Journal of Molecular Graphics and Modelling 125, pages 108584.
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Alexander de P. Rodrigues, Aderval S. Luna & Licarion Pinto. (2023) An evaluation strategy to select and discard sampling preprocessing methods for imbalanced datasets: A focus on classification models. Chemometrics and Intelligent Laboratory Systems 240, pages 104933.
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Linda Bertato, Nicola Chirico & Ester Papa. (2022) Predicting the Bioconcentration Factor in Fish from Molecular Structures. Toxics 10:10, pages 581.
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Karl Marti Toots, Sulev Sild, Jaan Leis, William E. AcreeJr.Jr. & Uko Maran. (2022) Machine Learning Quantitative Structure–Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons. International Journal of Molecular Sciences 23:14, pages 7534.
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Karl Marti Toots, Sulev Sild, Jaan Leis, William E. Acree Jr.Uko Maran. (2021) The quantitative structure-property relationships for the gas-ionic liquid partition coefficient of a large variety of organic compounds in three ionic liquids. Journal of Molecular Liquids 343, pages 117573.
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Geven Piir, Sulev Sild & Uko Maran. (2021) Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 262, pages 128313.
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Sulev Sild, Geven Piir, Daniel Neagu & Uko Maran. 2019. Big Data in Predictive Toxicology. Big Data in Predictive Toxicology 185 213 .
Mare Oja, Sulev Sild & Uko Maran. (2019) Logistic Classification Models for pH–Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System. Journal of Chemical Information and Modeling 59:5, pages 2442-2455.
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Geven Piir, Iiris Kahn, Alfonso T. García-Sosa, Sulev Sild, Priit Ahte & Uko Maran. (2018) Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints. Environmental Health Perspectives 126:12.
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