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A regional model of a small river basin with a catchment area of approximately 1000 km2 is considered. The model was developed to evaluate the possible influence of groundwater intake on river runoff. The model is calibrated to the measured levels of groundwaters and discharges of this river. Geophysical and hydrometric surveys have allowed us to characterize the heterogeneity of the conductivity...
In this paper, support vector machine and condensed graph of reaction (CGR) approaches have been used to predict the regioselectivity of aromatic hydroxylation for human CYP1A2 substrates. Experimental data on aromatic hydroxylation for human cytochrome CYP1A2 (observed molecular or “real” transformations) used in the modeling were extracted from the Metabolite database and the XenoSite database....
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