ADMET Predictor® User Manual
ADMET Predictor® User Manual
Breadcrumbs

Loading the Data-1

  1. Open the Demo2D.smi file and generate the ADMET Predictor predictions as described in the tutorial “Interactive Input: SMILES”.

  2. On the right hand side, upper corner pane (the histogram), click on XYZ button (first from the left) and select RuleOf5 as dependent variable.

images_image_283_.png
images_image_570_.png

  1. Note the category counts after the histogram is generated.

images_image_285_.png

  1. Continue to “Saving a modified version of the Lipinski Rule Of 5 file”.