Relationship between structure and permeability in artificial membranes: Theoretical whole molecule descriptors in development of QSAR models

QSAR and Combinatorial Science

Volumn 28, Issue 8, 2009, Pages 811-814

  Tulp, Indrek ^a   Sild, Sulev ^a   Maran, Uko ^a  

^a UNIVERSITY OF TARTU   (Estonia)

Author keywords

Linear free energy relationships; Molecular descriptors; PAMPA; Permeability; Structure activity relationships

Indexed keywords

COMPUTATIONAL CHEMISTRY; FREE ENERGY; HYDROGEN BONDS; MOLECULAR GRAPHICS;

ARTIFICIAL MEMBRANES; DESCRIPTORS; DIVERSE DATA SETS; FIVE-PARAMETER MODEL; LINEAR FREE ENERGY RELATIONSHIPS; MOLECULAR DESCRIPTORS; PAMPA; PERMEABILITY; QSAR MODEL; STRUCTURE-ACTIVITY RELATIONSHIPS;

MOLECULES;

ANALYZER; ARTIFICIAL MEMBRANE; CONFERENCE PAPER; EXTERNAL VALIDITY; HYDROGEN BOND; HYDROPHOBICITY; INTERNAL VALIDITY; MEMBRANE PERMEABILITY; MEMBRANE STRUCTURE; MOLECULAR MECHANICS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLUBILITY; STATISTICAL MODEL; STATISTICAL PARAMETERS;

EID: 70350367267     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200860160     Document Type: Conference Paper

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