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Computational approaches for skin sensitization prediction.
Crit Rev Toxicol. 2018 Oct;48(9):738-760. doi: 10.1080/10408444.2018.1528207. Epub 2018 Nov 29.
Crit Rev Toxicol. 2018.
PMID: 30488745
Review.
Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules.
Wilm A, Norinder U, Agea MI, de Bruyn Kops C, Stork C, Kühnl J, Kirchmair J.
Wilm A, et al.
Chem Res Toxicol. 2021 Feb 15;34(2):330-344. doi: 10.1021/acs.chemrestox.0c00253. Epub 2020 Dec 9.
Chem Res Toxicol. 2021.
PMID: 33295759
Free PMC article.
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Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors.
Wilm A, Garcia de Lomana M, Stork C, Mathai N, Hirte S, Norinder U, Kühnl J, Kirchmair J.
Wilm A, et al.
Pharmaceuticals (Basel). 2021 Aug 11;14(8):790. doi: 10.3390/ph14080790.
Pharmaceuticals (Basel). 2021.
PMID: 34451887
Free PMC article.
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Skin Doctor: Machine Learning Models for Skin Sensitization Prediction that Provide Estimates and Indicators of Prediction Reliability.
Wilm A, Stork C, Bauer C, Schepky A, Kühnl J, Kirchmair J.
Wilm A, et al.
Int J Mol Sci. 2019 Sep 28;20(19):4833. doi: 10.3390/ijms20194833.
Int J Mol Sci. 2019.
PMID: 31569429
Free PMC article.
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