GRIND based 3D-QSAR model

Figure 6.6 Graphics involved in the interpretation of GRIND-based 3D QSAR models. Variables with the highest and lowest PLS coefficients were investigated, first in a plot representing the correlograms obtained for all the compounds in the series where the colour represents the value of the yvariable (red for active compounds and blue for inactive). Then, these variables were represented in 3D for highly active and inactive compounds, in order to identify the structural and physicochemical features they represent.

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