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The CORAL software ( http://www.insilico.eu/coral ) was used to build up the Simplified Molecular Input Line Entry System-based quantitative structure–property relationship (QSPR) for the retention characteristics of 1-phenyl-5-benzylsulfanyltetrazoles. The QSPRs developed are one-variable models based on the optimal descriptors calculated with the Monte Carlo method. The approach has been checked...
The organic carbon/water partition coefficient (KOC) is one of the most important parameters describing partitioning of chemicals in soil/water system and measuring their relative potential mobility in soils. Because of a large number of possible compounds entering the environment, the experimental measurements of the soil sorption coefficient for all of them are virtually impossible. The alternative...
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