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New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques.
Ambure P, Gajewicz-Skretna A, Cordeiro MNDS, Roy K. Ambure P, et al. Among authors: cordeiro mnds. J Chem Inf Model. 2019 Oct 28;59(10):4070-4076. doi: 10.1021/acs.jcim.9b00476. Epub 2019 Sep 26. J Chem Inf Model. 2019. PMID: 31525295
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands.
Castillo-González D, Mergny JL, De Rache A, Pérez-Machado G, Cabrera-Pérez MA, Nicolotti O, Introcaso A, Mangiatordi GF, Guédin A, Bourdoncle A, Garrigues T, Pallardó F, Cordeiro MN, Paz-Y-Miño C, Tejera E, Borges F, Cruz-Monteagudo M. Castillo-González D, et al. J Chem Inf Model. 2015 Oct 26;55(10):2094-110. doi: 10.1021/acs.jcim.5b00415. Epub 2015 Sep 18. J Chem Inf Model. 2015. PMID: 26355653
QSAR modelling: a therapeutic patent review 2010-present.
Halder AK, Moura AS, Cordeiro MNDS. Halder AK, et al. Among authors: cordeiro mnds. Expert Opin Ther Pat. 2018 Jun;28(6):467-476. doi: 10.1080/13543776.2018.1475560. Epub 2018 May 23. Expert Opin Ther Pat. 2018. PMID: 29745270 Review.
MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors.
González-Durruthy M, Manske Nunes S, Ventura-Lima J, Gelesky MA, González-Díaz H, Monserrat JM, Concu R, Cordeiro MNDS. González-Durruthy M, et al. Among authors: cordeiro mnds. J Chem Inf Model. 2019 Jan 28;59(1):86-97. doi: 10.1021/acs.jcim.8b00631. Epub 2018 Nov 27. J Chem Inf Model. 2019. PMID: 30408958
207 results