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The Use of Pseudo-equilibrium Constant Affords Improved QSAR Models of Human Plasma Protein Binding

PURPOSE: To develop accurate in silico predictors of Plasma Protein Binding (PPB). METHODS: Experimental PPB data were compiled for over 1,200 compounds. Two endpoints have been considered: (1) fraction bound (%PPB); and (2) the logarithm of a pseudo binding constant (lnKa) derived from %PPB. The la...

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Publicat a:Pharm Res
Autors principals: Zhu, Xiangwei, Sedykh, Alexander, Zhu, Hao, Liu, Shushen, Tropsha, Alexander
Format: Artigo
Idioma:Inglês
Publicat: 2013
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4363124/
https://ncbi.nlm.nih.gov/pubmed/23568522
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11095-013-1023-6
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