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Page 1
QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer's Disease.
Sci Rep. 2019 Jun 24;9(1):9102. doi: 10.1038/s41598-019-45522-3.
Sci Rep. 2019.
PMID: 31235739
Free PMC article.
Feature Selection for Polymer Informatics: Evaluating Scalability and Robustness of the FS4RVDD Algorithm Using Synthetic Polydisperse Data Sets.
Cravero F, Schustik SA, Martínez MJ, Vázquez GE, Díaz MF, Ponzoni I.
Cravero F, et al. Among authors: vazquez ge.
J Chem Inf Model. 2020 Feb 24;60(2):592-603. doi: 10.1021/acs.jcim.9b00867. Epub 2019 Dec 18.
J Chem Inf Model. 2020.
PMID: 31790226
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Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methods.
Martínez MJ, Ponzoni I, Díaz MF, Vazquez GE, Soto AJ.
Martínez MJ, et al. Among authors: vazquez ge.
J Cheminform. 2015 Aug 19;7:39. doi: 10.1186/s13321-015-0092-4. eCollection 2015.
J Cheminform. 2015.
PMID: 26300983
Free PMC article.
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Feature Learning applied to the Estimation of Tensile Strength at Break in Polymeric Material Design.
Cravero F, Martínez MJ, Vazquez GE, Díaz MF, Ponzoni I.
Cravero F, et al.
J Integr Bioinform. 2016 Nov 27;13(2):286. doi: 10.2390/biecoll-jib-2016-286.
J Integr Bioinform. 2016.
PMID: 28187416
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Novel descriptors from main and side chains of high-molecular-weight polymers applied to prediction of glass transition temperatures.
Palomba D, Vazquez GE, Díaz MF.
Palomba D, et al.
J Mol Graph Model. 2012 Sep;38:137-47. doi: 10.1016/j.jmgm.2012.04.006. Epub 2012 May 8.
J Mol Graph Model. 2012.
PMID: 23085161
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QSPR models for predicting log P(liver) values for volatile organic compounds combining statistical methods and domain knowledge.
Palomba D, Martínez MJ, Ponzoni I, Díaz MF, Vazquez GE, Soto AJ.
Palomba D, et al. Among authors: vazquez ge.
Molecules. 2012 Dec 17;17(12):14937-53. doi: 10.3390/molecules171214937.
Molecules. 2012.
PMID: 23247367
Free PMC article.
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Target-Driven Subspace Mapping Methods and Their Applicability Domain Estimation.
Soto AJ, Vazquez GE, Strickert M, Ponzoni I.
Soto AJ, et al. Among authors: vazquez ge.
Mol Inform. 2011 Sep;30(9):779-89. doi: 10.1002/minf.201100053. Epub 2011 Aug 3.
Mol Inform. 2011.
PMID: 27467410
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