Tutorial: Matched Series Analysis
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.