Predictivity Approach for Quantitative Structure-Property Models. Application for Blood-Brain Barrier Permeation of Diverse Drug-Like Compounds

Predictivity Approach for Quantitative Structure-Property Models. Application for Blood-Brain Barrier Permeation of Diverse Drug-Like Compounds

The goal of the present research was to present a predictivity statistical approach applied on structure-based prediction models. The approach was applied to the domain of blood-brain barrier (BBB) permeation of diverse drug-like compounds. For this purpose, 15 statistical parameters and associated...

Full description

Bibliographic Details
Main Authors: Sorana D. Bolboacă, Lorentz Jäntschi
Format: Article
Language:English
Published: MDPI AG 2011-07-01
Series:International Journal of Molecular Sciences
Subjects:
in silico prediction
partition-coefficient
blood-brain barrier (BBB)
permeation
structure-property relationship (SPR)
molecular descriptors family on vertices cutting (MDFV)
Online Access:http://www.mdpi.com/1422-0067/12/7/4348/

Internet

http://www.mdpi.com/1422-0067/12/7/4348/

Similar Items