Toward a more realistic QSAR approach to predicting metal toxicity

QSAR and Combinatorial Science

Volumn 28, Issue 5, 2009, Pages 520-525

  Lepǎdatu, Costinel ^a   Enache, Monica ^b   Walker, John D ^c  

^a ACADEMY OF ROMANIAN SCIENTISTS   (Romania)

^b UNIVERSITY OF AGRONOMIC SCIENCES AND VETERINARY MEDICINE OF BUCHAREST   (Romania)

^c U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

Author keywords

Metal ions; Molecular electronegativity; Sunflower; Toxicity

Indexed keywords

BIOACTIVITY; CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; METAL IONS; MOLECULAR GRAPHICS; MOLECULAR ORBITALS; QUANTUM THEORY; TOXICITY;

BIOLOGICAL RECEPTORS; DESCRIPTORS; DIFFERENT MECHANISMS; ELECTRON TRANSFER; METAL TOXICITY; METALS IONS; MOLECULAR DESCRIPTORS; MOLECULAR ELECTRONEGATIVITY; MOLECULAR STATE; SUNFLOWER;

ELECTRONEGATIVITY;

ALUMINUM; BARIUM; CADMIUM; COBALT; COPPER; IRON; LEAD; LITHIUM ION; MANGANESE; METAL; METAL ION; NICKEL; SILVER; ZINC;

ARTICLE; ELECTRON TRANSPORT; INTOXICATION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR PHYSICS; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; SURFACE CHARGE;

HELIANTHUS;

EID: 67649231681     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200860151     Document Type: Article

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