Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning.

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作者： Cristian R,Munteanu ^[1] ; Pablo,Gutiérrez-Asorey ^[2] ; Manuel,Blanes-Rodríguez ^[3] ; Ismael,Hidalgo-Delgado ^[4] ; María de Jesús,Blanco Liverio ^[1] ; Brais,Castiñeiras Galdo ^[1] ; Ana B,Porto-Pazos ^[1] ; Marcos,Gestal ^[5] ; Sonia,Arrasate ^[1] ; Humbert,González-Díaz ^[2]

作者单位： Computer Science Faculty, University of A Coruna, 15071 A Coruña, Spain. ^[1] Centro de Investigación en Tecnologías de la Información y Las Comunicaciones (CITIC), Campus de Elviña s/n, 15071 A Coruña, Spain. ^[2] Biomedical Research Institute of A Coruña (INIBIC), University Hospital Complex of A Coruña (CHUAC), 15006 A Coruña, Spain. ^[3] IKERDATA S.L., ZITEK, University of Basque Country UPVEHU, Rectorate Building, 48940 Leioa, Spain. ^[4] Department of Organic and Inorganic Chemistry, University of the Basque Country (UPV/EHU), 48940 Leioa, Spain. ^[5] IKERBASQUE, Basque Foundation for Science, 48011 Bilbao, Spain. ^[6] BIOFISIKA, Basque Center for Biophysics, University of Basque Country UPVEHU, 48940 Leioa, Spain. ^[7]

关键词 ChEMBL database anti-glioblastoma big data decorated nanoparticles drug delivery machine learning perturbation theory