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

Internet

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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