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Two new parameters based on distances in a receiver operating characteristic chart for the selection of classification models.
J Chem Inf Model. 2011 Oct 24;51(10):2746-59. doi: 10.1021/ci2003076. Epub 2011 Sep 29.
J Chem Inf Model. 2011.
PMID: 21923162
Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.
Pérez-Garrido A, Morales Helguera A, Abellán Guillén A, Cordeiro MN, Garrido Escudero A.
Pérez-Garrido A, et al. Among authors: garrido escudero a.
Bioorg Med Chem. 2009 Jan 15;17(2):896-904. doi: 10.1016/j.bmc.2008.11.040. Epub 2008 Nov 24.
Bioorg Med Chem. 2009.
PMID: 19056282
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QSPR modelling with the topological substructural molecular design approach: beta-cyclodextrin complexation.
Pérez-Garrido A, Helguera AM, Cordeiro MN, Escudero AG.
Pérez-Garrido A, et al. Among authors: escudero ag.
J Pharm Sci. 2009 Dec;98(12):4557-76. doi: 10.1002/jps.21747.
J Pharm Sci. 2009.
PMID: 19504577
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A topological substructural molecular design approach for predicting mutagenesis end-points of alpha, beta-unsaturated carbonyl compounds.
Pérez-Garrido A, Helguera AM, López GC, Cordeiro MN, Escudero AG.
Pérez-Garrido A, et al. Among authors: escudero ag.
Toxicology. 2010 Jan 31;268(1-2):64-77. doi: 10.1016/j.tox.2009.11.023. Epub 2009 Dec 11.
Toxicology. 2010.
PMID: 20004227
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Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity.
Pérez-Garrido A, González MP, Escudero AG.
Pérez-Garrido A, et al. Among authors: escudero ag.
Bioorg Med Chem. 2008 May 15;16(10):5720-32. doi: 10.1016/j.bmc.2008.03.070. Epub 2008 Mar 30.
Bioorg Med Chem. 2008.
PMID: 18406150
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