|
|||||
|
|
Qualitative structure residue relationship analysis in the determination of the maximum residue limit of veterinary drugs |
|
| Authors: | Grabowski Tomasz Jaroszewski Jerzy Jan Piotrowski Walerian Feder Marcin |
| Affiliation: | a Centre of Pharmacokinetics Research “Filab”, Ravimed Sp. z o.o., Polna 54, 05-119 ?ajski, Poland b Department of Pharmacology and Toxicology, Faculty of Veterinary Medicine, University of Warmia and Mazury, Oczapowskiego 2, 10-719 Olsztyn, Poland c Biostatistical Laboratory, Department of Epidemiology, Cardiovascular Disease Prevention and Health Promotion Institute of Cardiology, Alpejska 22, 04-628 Warsaw, Poland d Department of Research and Development, ADAMED Sp. z o.o., Pieńków 149, 05-152 Pieńków, Poland |
| Abstract: | Aim of the present study was an attempt to find a correlation between physicochemical structure of veterinary drugs and the maximum residue limit (MRL) for muscle tissue of food producing animals. Direct correlation and analysis in quintile groups for 52 physicochemical parameters were performed. An internal validation using leave-one-out cross-validation was performed. In the quintile groups, there were 11 arithmetic expressions created for the limited group of individual parameters (13 from 52 analyzed), which showed a significant linear or quadratic correlation between the number of quintile group and the mean value of MRL within the quintile. The results obtained suggest that there is no direct correlation between individual physicochemical parameters and MRL value in muscle tissue; however, such correlation can be determined for arithmetic expressions created on the basis of several physicochemical parameters, using quintile group analysis. |
| Keywords: | In silico QSRR MRL Muscle tissue Solubility Residues |
| 本文献已被 ScienceDirect PubMed 等数据库收录！ | |