In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs

To discover new inhibitors against the human colon carcinoma HCT116 cell line, two quantitative structure–activity relationship (QSAR) studies using molecular and nuclear magnetic resonance (NMR) descriptors were developed through exploration of machine learning techniques and using the va...

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Detalhes bibliográficos
Main Authors: Sara Cruz, Sofia E. Gomes, Pedro M. Borralho, Cecília M. P. Rodrigues, Susana P. Gaudêncio, Florbela Pereira
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2018-07-01
Colecção:Biomolecules
Assuntos:
anticancer activity
HCT116 cell line
quantitative structure–activity relationship (QSAR)
machine learning (ML)
molecular descriptors
NMR descriptors
marine natural products (MNPs)
marine-derived actinobacteria
Acesso em linha:http://www.mdpi.com/2218-273X/8/3/56
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