Two- and three-dimensional quantitative structure-permeability relationship of flavonoids in Caco-2 cells using stepwise multiple linear regression (SMLR), partial least squares regression (PLSR), and pharmacophore (GALAHAD)-based comparative molecular similarity index analysis (COMSIA)

Medicinal Chemistry Research

Volumn 24, Issue 4, 2015, Pages 1696-1706

  Gonzales, Gerard Bryan ^a   Van Camp, John ^a   Zotti, Moises ^a,b   Kobayashi, Vladimer ^c   Grootaert, Charlotte ^a   Raes, Katleen ^a   Smagghe, Guy ^a  

^a GHENT UNIVERSITY   (Belgium)

^b FEDERAL UNIVERSITY OF SANTA MARIA   (Brazil)

^c UNIVERSITY OF THE PHILIPPINES MINDANAO   (Philippines)

Author keywords

Caco 2 cells; COMSIA; Flavonoids; Pharmacophore; PLS; QSPR; Stepwise MLR

Indexed keywords

FLAVONOID;

ARTICLE; CACO 2 CELL LINE; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG PENETRATION; HIGH THROUGHPUT SCREENING; HUMAN; HUMAN CELL; HYDROGEN BOND; INTESTINE ABSORPTION; MULTIPLE LINEAR REGRESSION ANALYSIS; PARTIAL LEAST SQUARES REGRESSION; PHARMACOPHORE; QUANTITATIVE STRUCTURE PROPERTY RELATION;

EID: 84923923831     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-014-1241-4     Document Type: Article

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