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MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products.
Carracedo-Reboredo P, Aranzamendi E, He S, Arrasate S, Munteanu CR, Fernandez-Lozano C, Sotomayor N, Lete E, González-Díaz H. Carracedo-Reboredo P, et al. Among authors: arrasate s. J Cheminform. 2024 Jan 23;16(1):9. doi: 10.1186/s13321-024-00802-7. J Cheminform. 2024. PMID: 38254200 Free PMC article.
MIANN models in medicinal, physical and organic chemistry.
González-Díaz H, Arrasate S, Sotomayor N, Lete E, Munteanu CR, Pazos A, Besada-Porto L, Ruso JM. González-Díaz H, et al. Among authors: arrasate s. Curr Top Med Chem. 2013;13(5):619-41. doi: 10.2174/1568026611313050006. Curr Top Med Chem. 2013. PMID: 23548024 Review.
Enantioselective synthesis in organic and medicinal chemistry.
Lete E, Sotomayor N, Arrasate S. Lete E, et al. Among authors: arrasate s. Curr Top Med Chem. 2014;14(10):1209-11. doi: 10.2174/1568026614666140423094623. Curr Top Med Chem. 2014. PMID: 24758436 No abstract available.
Data Analysis in Chemistry and Bio-Medical Sciences.
Todeschini R, Pazos A, Arrasate S, González-Díaz H. Todeschini R, et al. Among authors: arrasate s. Int J Mol Sci. 2016 Dec 14;17(12):2105. doi: 10.3390/ijms17122105. Int J Mol Sci. 2016. PMID: 27983646 Free PMC article.
Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks.
Nocedo-Mena D, Cornelio C, Camacho-Corona MDR, Garza-González E, Waksman de Torres N, Arrasate S, Sotomayor N, Lete E, González-Díaz H. Nocedo-Mena D, et al. Among authors: arrasate s. J Chem Inf Model. 2019 Mar 25;59(3):1109-1120. doi: 10.1021/acs.jcim.9b00034. Epub 2019 Mar 4. J Chem Inf Model. 2019. PMID: 30802402
38 results