Prediction of Human Blood: Air Partition Coefficient: A Comparison of Structure-Based and Property-Based Methods

Risk Analysis

Volumn 23, Issue 6, 2003, Pages 1173-1184

  Basak, Subhash C ^a,d   Mills, Denise ^a   Hawkins, Douglas M ^b   El Masri, Hisham A ^c  

^a UNIVERSITY OF MINNESOTA DULUTH   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

^c AGENCY FOR TOXIC SUBSTANCES AND DISEASE REGISTRY   (United States)

^d Natural Resources Research Institute   (United States)

Author keywords

Blood:air partition coefficient; PBPK model; Quantitative structure property relationship (QSPR) model; Ridge regression; Theoretical molecular descriptors

Indexed keywords

BLOOD; LEAST SQUARES APPROXIMATIONS; LINEAR EQUATIONS; MOLECULAR STRUCTURE; MOLECULAR WEIGHT; PRINCIPAL COMPONENT ANALYSIS; REGRESSION ANALYSIS;

PARTITION COEFFICIENTS;

RISK ASSESSMENT;

ORGANIC COMPOUND;

BLOOD;

ARTICLE; BLOOD ANALYSIS; CHEMICAL STRUCTURE; COMPARATIVE STUDY; CORRELATION ANALYSIS; GEOMETRY; HUMAN; LINEAR REGRESSION ANALYSIS; LUNG GAS EXCHANGE; METHODOLOGY; MODEL; PARTITION COEFFICIENT; PREDICTION; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THEORY;

ANIMALS; BLOOD-AIR BARRIER; HUMANS; HYDROCARBONS; LEAST-SQUARES ANALYSIS; LINEAR MODELS; MALE; MODELS, BIOLOGICAL; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; REGRESSION ANALYSIS; RISK ASSESSMENT;

EID: 0346422408     PISSN: 02724332     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.0272-4332.2003.00390.x     Document Type: Article

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