PPBs are complicated and error-prone. Both Reading and Writing sections should discuss the issues and offer ways to work around them.
One approach: an intermediate descriptor that replaces PPBs with dedicated syn/anti double bonds. Similar in concept to the @ notation proposed as an OpenSMILES extension.
PPBs are complicated and error-prone. Both Reading and Writing sections should discuss the issues and offer ways to work around them.
One approach: an intermediate descriptor that replaces PPBs with dedicated syn/anti double bonds. Similar in concept to the
@notation proposed as an OpenSMILES extension.