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Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification.
Dasgupta, Indrasis; Das, Totan; Das, Biplab; Gayen, Shovanlal.
Afiliación
  • Dasgupta I; Laboratory of Drug Design and Discovery, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
  • Das T; Laboratory of Drug Design and Discovery, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
  • Das B; Laboratory of Drug Design and Discovery, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
  • Gayen S; Laboratory of Drug Design and Discovery, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
Beilstein J Nanotechnol ; 15: 909-924, 2024.
Article en En | MEDLINE | ID: mdl-39076688
ABSTRACT
Nanoparticles (NPs) are considered as versatile tools in various fields including medicine, electronics, and environmental science. Understanding the structural aspects of surface modifiers in nanoparticles that govern their cellular uptake is crucial for optimizing their efficacy and minimizing potential cytotoxicity. The cellular uptake is influenced by multiple factors, namely, size, shape, and surface charge of NPs, as well as their surface functionalization. In the current study, classification-based ML models (i.e., Bayesian classification, random forest, support vector classifier, and linear discriminant analysis) have been developed to identify the features/fingerprints that significantly contribute to the cellular uptake of ENMOs in multiple cell types, including pancreatic cancer cells (PaCa2), human endothelial cells (HUVEC), and human macrophage cells (U937). The best models have been identified for each cell type and analyzed to detect the structural fingerprints/features governing the cellular uptake of ENMOs. The study will direct scientists in the design of ENMOs of higher cellular uptake efficiency for better therapeutic response.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Beilstein J Nanotechnol Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Alemania

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Beilstein J Nanotechnol Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Alemania