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Larvicidal activity prediction against Aedes aegypti mosquito using computational tools.
J Vector Borne Dis. 2017 Apr-Jun;54(2):164-171.
J Vector Borne Dis. 2017.
PMID: 28748838
Thorough evaluation of OECD principles in modelling of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine derivatives using QSARINS.
Cañizares-Carmenate Y, Campos Delgado LE, Torrens F, Castillo-Garit JA.
Cañizares-Carmenate Y, et al.
SAR QSAR Environ Res. 2020 Oct;31(10):741-759. doi: 10.1080/1062936X.2020.1810116. Epub 2020 Sep 7.
SAR QSAR Environ Res. 2020.
PMID: 32892643
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Machine learning approach to discovery of small molecules with potential inhibitory action against vasoactive metalloproteases.
Cañizares-Carmenate Y, Mena-Ulecia K, MacLeod Carey D, Perera-Sardiña Y, Hernández-Rodríguez EW, Marrero-Ponce Y, Torrens F, Castillo-Garit JA.
Cañizares-Carmenate Y, et al.
Mol Divers. 2022 Jun;26(3):1383-1397. doi: 10.1007/s11030-021-10260-0. Epub 2021 Jul 3.
Mol Divers. 2022.
PMID: 34216326
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Ligand-based discovery of new potential acetylcholinesterase inhibitors for Alzheimer's disease treatment.
Cañizares-Carmenate Y, Nam NH, Díaz-Amador R, Thuan NT, Dung PTP, Torrens F, Pham-The H, Perez-Gimenez F, Castillo-Garit JA.
Cañizares-Carmenate Y, et al.
SAR QSAR Environ Res. 2022 Jan;33(1):49-61. doi: 10.1080/1062936X.2022.2025615. Epub 2022 Jan 20.
SAR QSAR Environ Res. 2022.
PMID: 35048766
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A Review of Computational Approaches Targeting SARS-CoV-2 Main Protease to the Discovery of New Potential Antiviral Compounds.
Castillo-Garit JA, Cañizares-Carmenate Y, Pham-The H, Pérez-Doñate V, Torrens F, Pérez-Giménez F.
Castillo-Garit JA, et al. Among authors: canizares carmenate y.
Curr Top Med Chem. 2023;23(1):3-16. doi: 10.2174/2667387816666220426133555.
Curr Top Med Chem. 2023.
PMID: 35473544
Review.
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Desirability-based methods of multiobjective optimization and ranking for global QSAR studies. Filtering safe and potent drug candidates from combinatorial libraries.
Cruz-Monteagudo M, Borges F, Cordeiro MN, Cagide Fajin JL, Morell C, Ruiz RM, Cañizares-Carmenate Y, Dominguez ER.
Cruz-Monteagudo M, et al. Among authors: canizares carmenate y.
J Comb Chem. 2008 Nov-Dec;10(6):897-913. doi: 10.1021/cc800115y. Epub 2008 Oct 15.
J Comb Chem. 2008.
PMID: 18855460
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Ligand and structure-based discovery of phosphorus-containing compounds as potential metalloproteinase inhibitors.
Cañizares-Carmenate Y, Perera-Sardiña Y, Marrero-Ponce Y, Díaz-Amador R, Torrens F, Castillo-Garit JA.
Cañizares-Carmenate Y, et al.
SAR QSAR Environ Res. 2024 Mar;35(3):219-240. doi: 10.1080/1062936X.2024.2314103. Epub 2024 Feb 21.
SAR QSAR Environ Res. 2024.
PMID: 38380444
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