Comparison of rdMMPA cut rules #RDKit #Chemoinformatics #memo

RDKit has code for making mmp in Contrib folder. And also rdkit provides rdMMPA class which can make MMP which is based on user defined cutting rules. Today I checked the rule and modified it with GetSubstructMatches. Default cutting rule is described in rdMMPA document and it’s defined as SMARTS pattern. pattern=’[#6+0;!$(=,#[!#6])]!@!=!#[]’  >> It means