Investigating the mechanisms of bioconcentration through QSAR classification trees

Environment International

Volumn 88, Issue , 2016, Pages 198-205

  Grisoni, Francesca ^a,b   Consonni, Viviana ^a,b   Vighi, Marco ^a   Villa, Sara ^a   Todeschini, Roberto ^a,b  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b Milano Chemometric Research Group   (Italy)

Author keywords

BCF; Bioconcentration; CART; Mechanisms; Molecular descriptors; QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY; MECHANISMS;

BIOCONCENTRATION; CART; CLASSIFICATION TREES; INTERPRETABILITY; MOLECULAR DESCRIPTORS; QSAR; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; SALIENT FEATURES;

BIOACCUMULATION;

AROMATIC COMPOUND; IONOGENIC ORGANIC COMPOUND; LIPID; ORGANIC COMPOUND; ORGANOPHOSPHATE; ORGANOPHOSPHORUS COMPOUND; PERFLUORO COMPOUND; POLYCHLORINATED BIPHENYL; POLYCYCLIC AROMATIC HYDROCARBON; UNCLASSIFIED DRUG; POLLUTANT;

BIOACCUMULATION; CLASSIFICATION; ORGANIC COMPOUND;

ARTICLE; BIOACCUMULATION; BIOTRANSFORMATION; CELL MEMBRANE PERMEABILITY; CHEMICAL ANALYSIS; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; CLASSIFICATION; HETEROATOM DENSITY; IONIZATION; MOLECULAR FLEXIBILITY; MOLECULAR MODEL; MOLECULAR SIZE; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; ANIMAL; ENVIRONMENTAL MONITORING; HUMAN; METABOLISM; POLLUTANT; PROCEDURES;

ANIMALS; ENVIRONMENTAL MONITORING; ENVIRONMENTAL POLLUTANTS; HUMANS; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84952923189     PISSN: 01604120     EISSN: 18736750     Source Type: Journal    
DOI: 10.1016/j.envint.2015.12.024     Document Type: Article

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