Constructing optimum blood brain barrier QSAR models using a combination of 4D-molecular similarity measures and cluster analysis

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 6, 2004, Pages 2083-2098

  Pan, Dahua ^a   Iyer, Manisha ^a   Liu, Jianzhong ^a   Li, Yi ^a   Hopfinger, Anton J ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BLOOD BRAIN BARRIER (BBB); CENTRAL NERVOUS SYSTEM (CNS); CONFORMATION ENSEMBLE PROFILE (CEP); MOLECULAR SKELETONS;

BLOOD; BRAIN; DATA ACQUISITION; OPTIMIZATION; PARAMETER ESTIMATION; SET THEORY;

MOLECULAR BIOLOGY;

CENTRAL NERVOUS SYSTEM AGENTS;

ARTICLE; BLOOD BRAIN BARRIER; CHEMICAL STRUCTURE; CHEMISTRY; CLUSTER ANALYSIS; COMPUTER SIMULATION; DRUG EFFECT; PHYSIOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BLOOD-BRAIN BARRIER; CENTRAL NERVOUS SYSTEM AGENTS; CLUSTER ANALYSIS; COMPUTER SIMULATION; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 10044267949     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0498057     Document Type: Article

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