Qualitative structure residue relationship analysis in the determination of the maximum residue limit of veterinary drugs

► No direct correlation between single in silico parameters and MRL was observed. ► Raw data were divided into quintile groups and a search for the correlation. ► Quintile groups were constructed on the results of arithmetic expressions. ► Only two analyzed correlations were statistically significan...

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Veröffentlicht in:	Chemosphere (Oxford) 2012-04, Vol.87 (4), p.312-318
Hauptverfasser:	Grabowski, Tomasz, Jaroszewski, Jerzy Jan, Piotrowski, Walerian, Feder, Marcin
Format:	Artikel
Sprache:	eng
Schlagworte:	Animal, plant and microbial ecology Animals Applied ecology Biological and medical sciences Computer Simulation Ecotoxicology, biological effects of pollution Environmental Monitoring - methods Fundamental and applied biological sciences. Psychology General aspects In silico Models, Chemical MRL Muscle tissue Muscles - metabolism QSRR Quantitative Structure-Activity Relationship Residues Solubility Veterinary Drugs - chemistry Veterinary Drugs - metabolism Veterinary Drugs - pharmacokinetics
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Beschreibung
Zusammenfassung:	► No direct correlation between single in silico parameters and MRL was observed. ► Raw data were divided into quintile groups and a search for the correlation. ► Quintile groups were constructed on the results of arithmetic expressions. ► Only two analyzed correlations were statistically significant (P
ISSN:	0045-6535 1879-1298
DOI:	10.1016/j.chemosphere.2011.12.003