The objective in this worked example is to identify new derivatives that are likely to improve activity at their target, given the SAR already generated on a project. This example uses a publically available set of Human Chymotrypsin Ki data and searches the ChEMBL pIC50 knowledge base (generated by NextMove Software) to find matched series that indicate new substitutions with a high likelihood of improving the binding at Chymotrypsin.
To try this example yourself, please visit the Tutorials section of the Community. If you don't have access to StarDrop or the optional modules and would like to arrange a free trial license, please email us at
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