What is the ADMET Module?
Generating new molecular structures is commonplace. Many software programs can create huge numbers of new virtual molecules. The trick is to use what is known to intelligently guide the process, and then to have a way to filter out molecules that will not have sufficient activity, or that will fail because of any of many ADMET properties.
The ADMET Module in MedChem Studio uses the same models that are available in ADMET Predictor to fill the spreadsheet with predicted values. It also allows one to generate metabolites for large batches of compounds.