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Comprehensive ensemble in QSAR prediction for drug discovery

BACKGROUND: Quantitative structure-activity relationship (QSAR) is a computational modeling method for revealing relationships between structural properties of chemical compounds and biological activities. QSAR modeling is essential for drug discovery, but it has many constraints. Ensemble-based mac...

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Detalles Bibliográficos
Autores principales:	Kwon, Sunyoung, Bae, Ho, Jo, Jeonghee, Yoon, Sungroh
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2019
Materias:	Methodology Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6815455/ https://www.ncbi.nlm.nih.gov/pubmed/31655545 http://dx.doi.org/10.1186/s12859-019-3135-4

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