Correlation of blood-brain penetration using structural descriptors

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 14, 2006, Pages 4888-4917

  Katritzky, Alan R ^a   Kuanar, Minati ^a   Slavov, Svetoslav ^a,b   Dobchev, Dimitar A ^a,b   Fara, Dan C ^a   Karelson, Mati ^b,c   Acree Jr , William E ^d   Solov'ev, Vitaly P ^e   Varnek, Alexandre ^f  

^a University of Florida ^*  (United States)

^b UNIVERSITY OF TARTU   (Estonia)

^c TALLINN UNIVERSITY OF TECHNOLOGY   (Estonia)

^d UNIVERSITY OF NORTH TEXAS   (United States)

^e Physical Institute   (Russian Federation)

^f UMR 7509 du CNRS   (France)

Author keywords

Blood brain penetration; Central nervous system activity; Computational descriptors; Partition coefficients

Indexed keywords

2 [3 [3 (1 PIPERIDYLMETHYL)PHENOXY]PROPYLAMINO]PYRIDINE; ACETYLSALICYLIC ACID; CIMETIDINE; CLONIDINE; ICI 127032; ICOTIDINE; IMIPRAMINE; LUPITIDINE; MEPYRAMINE; PIPERIDINE DERIVATIVE; RANITIDINE; SFK 94826; SKF 94445; SKF 94826; SSKF 93619; TIOTIDINE; UNCLASSIFIED DRUG; UNINDEXED DRUG; YM 10; YM 13; YM 15; YM 16; YM 17; YM 19; YM 2; YM 20; YM 22; YM 24; YM 25; YM 26; YM 29; YM 30; YM 34; YM 37; YM 41; YM 42; YM 5; YM 6; YM 7; YM 8; YM 9; ZOLANTIDINE;

ARTICLE; BLOOD BRAIN BARRIER; CONSENSUS; CORRELATION ANALYSIS; DRUG PENETRATION; DRUG STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALGORITHMS; ANIMALS; BLOOD-BRAIN BARRIER; CENTRAL NERVOUS SYSTEM AGENTS; DRUG DESIGN; HUMANS; MODELS, BIOLOGICAL; MODELS, STATISTICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE;

EID: 33646864083     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2006.03.012     Document Type: Article

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