Exploring non-linear distance metrics in the structure–activity space: QSAR models for human estrogen receptor

BACKGROUND: Quantitative structure-activity relationship (QSAR) models are important tools used in discovering new drug candidates and identifying potentially harmful environmental chemicals. These models often face two fundamental challenges: limited amount of available biological activity data and...

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Detalles Bibliográficos
Autores principales: Balabin, Ilya A., Judson, Richard S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755572/
https://www.ncbi.nlm.nih.gov/pubmed/30229396
http://dx.doi.org/10.1186/s13321-018-0300-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755572/
https://www.ncbi.nlm.nih.gov/pubmed/30229396
http://dx.doi.org/10.1186/s13321-018-0300-0

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