Before revision:  where we first maps the whole molecular to molecular groups and then identify them based on the "abstracted smaller molecular", the feature aggregation across two whole graphs is always redundant, especially when the number of nodes is large.
After revision:  where we first maps the whole molecular is first mapped to functional groups and then identify them based on the "abstracted smaller molecular", the feature aggregation across two whole graphs is always redundant, especially when the number of nodes is large.