QEX: target-specific druglikeness filter enhances ligand-based virtual screening

Druglikeness is a useful concept for screening drug candidate compounds. We developed QEX, which is a new druglikeness index specific to individual targets. QEX is an improvement of the quantitative estimate of druglikeness (QED) method, which is a popular quantitative evaluation method of drugliken...

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Detalles Bibliográficos
Autores principales: Mochizuki, Masahiro, Suzuki, Shogo D., Yanagisawa, Keisuke, Ohue, Masahito, Akiyama, Yutaka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6394530/
https://www.ncbi.nlm.nih.gov/pubmed/29971617
http://dx.doi.org/10.1007/s11030-018-9842-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6394530/
https://www.ncbi.nlm.nih.gov/pubmed/29971617
http://dx.doi.org/10.1007/s11030-018-9842-3

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