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Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning.
Munteanu CR, Gutiérrez-Asorey P, Blanes-Rodríguez M, Hidalgo-Delgado I, Blanco Liverio MJ, Castiñeiras Galdo B, Porto-Pazos AB, Gestal M, Arrasate S, González-Díaz H. Munteanu CR, et al. Among authors: arrasate s. Int J Mol Sci. 2021 Oct 26;22(21):11519. doi: 10.3390/ijms222111519. Int J Mol Sci. 2021. PMID: 34768951 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.
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
MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry.
Carracedo-Reboredo P, Corona R, Martinez-Nunes M, Fernandez-Lozano C, Tsiliki G, Sarimveis H, Aranzamendi E, Arrasate S, Sotomayor N, Lete E, Munteanu CR, González-Díaz H. Carracedo-Reboredo P, et al. Among authors: arrasate s. Curr Top Med Chem. 2020;20(4):305-317. doi: 10.2174/1568026620666191226092431. Curr Top Med Chem. 2020. PMID: 31878856
PTML Model of ChEMBL Compounds Assays for Vitamin Derivatives.
Santana R, Zuluaga R, Gañán P, Arrasate S, Onieva Caracuel E, González-Díaz H. Santana R, et al. Among authors: arrasate s. ACS Comb Sci. 2020 Mar 9;22(3):129-141. doi: 10.1021/acscombsci.9b00166. Epub 2020 Feb 13. ACS Comb Sci. 2020. PMID: 32011854
36 results