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SAR and QSAR in Environmental Research Volume 24, 2013 - Issue 3
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Articles

Comparative analysis of local and consensus quantitative structure-activity relationship approaches for the prediction of bioconcentration factor

G. Piir Institute of Chemistry, University of Tartu, Tartu, Estonia
,
S. Sild Institute of Chemistry, University of Tartu, Tartu, Estonia
&
U. Maran Institute of Chemistry, University of Tartu, Tartu, EstoniaCorrespondence[email protected]
Pages 175-199 | Received 15 Oct 2012, Accepted 07 Dec 2012, Published online: 14 Feb 2013

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S. Zukić & U. Maran. (2020) Modelling of antiproliferative activity measured in HeLa cervical cancer cells in a series of xanthene derivatives. SAR and QSAR in Environmental Research 31:12, pages 905-921.
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Angélica Nakagawa Lima, Eric Allison Philot, Gustavo Henrique Goulart Trossini, Luis Paulo Barbour Scott, Vinícius Gonçalves Maltarollo & Kathia Maria Honorio. (2016) Use of machine learning approaches for novel drug discovery. Expert Opinion on Drug Discovery 11:3, pages 225-239.
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G. Piir, S. Sild & U. Maran. (2014) 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 and QSAR in Environmental Research 25:12, pages 967-981.
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J.P. Doucet & A. Doucet-Panaye. (2014) Structure–activity relationship study of trifluoromethylketone inhibitors of insect juvenile hormone esterase: Comparison of several classification methods. SAR and QSAR in Environmental Research 25:7, pages 589-616.
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J. Devillers, P. Pandard & B. Richard. (2013) External validation of structure-biodegradation relationship (SBR) models for predicting the biodegradability of xenobiotics. SAR and QSAR in Environmental Research 24:12, pages 979-993.
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Articles from other publishers (2)

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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Birgit Viira, Alfonso T. García-Sosa & Uko Maran. (2017) Chemical structure and correlation analysis of HIV-1 NNRT and NRT inhibitors and database-curated, published inhibition constants with chemical structure in diverse datasets. Journal of Molecular Graphics and Modelling 76, pages 205-223.
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