Predicting Caco-2 cell permeation coefficients of organic molecules using membrane-interaction QSAR analysis

Journal of Chemical Information and Computer Sciences

Volumn 42, Issue 2, 2002, Pages 331-342

  Kulkarni, Amit ^a,b   Han, Yi ^a   Hopfinger, A J ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

^b Accelrys Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MEMBRANE-INTERACTION;

ABSORPTION; BIOLOGICAL MEMBRANES; CONFORMATIONS; ESTIMATION; FREE ENERGY; MECHANICAL PERMEABILITY; MONOLAYERS; PHOSPHOLIPIDS;

MOLECULAR DYNAMICS;

ORGANIC COMPOUND;

ARTICLE; ARTIFICIAL MEMBRANE; CELL MEMBRANE PERMEABILITY; CELL STRAIN CACO 2; CHEMICAL STRUCTURE; HUMAN; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CACO-2 CELLS; CELL MEMBRANE PERMEABILITY; HUMANS; MEMBRANES, ARTIFICIAL; MODELS, MOLECULAR; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0036489453     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci010108d     Document Type: Article

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