A novel chemometric method for the prediction of human oral bioavailability

International Journal of Molecular Sciences

Volumn 13, Issue 6, 2012, Pages 6964-6982

  Xu, Xue ^a   Zhang, Wuxia ^a   Huang, Chao ^a   Li, Yan ^b   Yu, Hua ^a   Wang, Yonghua ^a   Duan, Jinyou ^a   Ling, Yang ^c  

^a NORTHWEST A F UNIVERSITY   (China)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^c DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

Cytochrome P4503A4 and P4502D6; Oral bioavailability; P glycoprotein; Quantitative structure activity relationship

Indexed keywords

CYTOCHROME P450 2D6; CYTOCHROME P450 3A4; GLYCOPROTEIN P; ABCB1 PROTEIN, HUMAN; CYTOCHROME P450 3A; MULTIDRUG RESISTANCE PROTEIN;

ARTICLE; CHEMOMETRIC ANALYSIS; COMPUTER MODEL; CONTROLLED STUDY; DRUG BIOAVAILABILITY; HUMAN; INTERMETHOD COMPARISON; MULTIPLE LINEAR REGRESSION ANALYSIS; PARTIAL LEAST SQUARES REGRESSION; PERFORMANCE; PREDICTION; PREDICTIVE VALIDITY; PREDICTOR VARIABLE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; SUPPORT VECTOR MACHINE; ARTIFICIAL NEURAL NETWORK; BIOAVAILABILITY; BIOLOGY; CHEMISTRY; CLUSTER ANALYSIS; CONFORMATION; DRUG DESIGN; FACTUAL DATABASE; ORAL DRUG ADMINISTRATION; STATISTICAL MODEL; X RAY CRYSTALLOGRAPHY;

ADMINISTRATION, ORAL; BIOLOGICAL AVAILABILITY; CLUSTER ANALYSIS; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME P-450 CYP2D6; CYTOCHROME P-450 CYP3A; DATABASES, FACTUAL; DRUG DESIGN; HUMANS; LINEAR MODELS; MOLECULAR CONFORMATION; NEURAL NETWORKS (COMPUTER); P-GLYCOPROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SUPPORT VECTOR MACHINES;

EID: 84862502609     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms13066964     Document Type: Article

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