Alignment-independent technique for 3D QSAR analysis

Molecular biochemistry is controlled by 3D phenomena but structure–activity models based on 3D descriptors are infrequently used for large data sets because of the computational overhead for determining molecular conformations. A diverse dataset of 146 androgen receptor binders was used to investiga...

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Detalles Bibliográficos
Autores principales: Wilkes, Jon G., Stoyanova-Slavova, Iva B., Buzatu, Dan A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4833814/
https://www.ncbi.nlm.nih.gov/pubmed/27026022
http://dx.doi.org/10.1007/s10822-016-9909-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4833814/
https://www.ncbi.nlm.nih.gov/pubmed/27026022
http://dx.doi.org/10.1007/s10822-016-9909-0

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