Use of 3D properties to characterize beyond rule-of-5 property space for passive permeation

Journal of Chemical Information and Modeling

Volumn 52, Issue 4, 2012, Pages 882-890

  Guimarães, Cristiano R W ^a   Mathiowetz, Alan M ^a   Shalaeva, Marina ^a   Goetz, Gilles ^a   Liras, Spiros ^a  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS;

GENERALIZED BORN/SURFACE AREA; HYDROGEN BOND DONORS; POLAR SURFACE AREAS; PROPERTY SPACES; RADIUS OF GYRATION;

FREE ENERGY;

PRESCRIPTION DRUG;

ANIMAL; CELL MEMBRANE; CELL MEMBRANE PERMEABILITY; CHEMICAL MODEL; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DOG; HYDROGEN BOND; KINETICS; LETTER; MDCK CELL; METABOLISM; MOLECULAR WEIGHT; STATIC ELECTRICITY; THERMODYNAMICS; MDCK CELL LINE;

ANIMALS; CELL MEMBRANE; CELL MEMBRANE PERMEABILITY; DOGS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; KINETICS; MADIN DARBY CANINE KIDNEY CELLS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; MOLECULAR WEIGHT; PRESCRIPTION DRUGS; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84862025745     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300010y     Document Type: Article

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