Say, I have a number of discrete Target Graphs (like a graph representation of several Rx drugs) and I want to determine which specific discrete TargetGraph does my sub/query graph (a pair of atoms) belongs to? Is that possible?
Example:
TargetGraph1 (Drug1), TargetGraph2 (Drug2) and TargetGraph3 (Drug3) (which are separated into subgraph neighborhoods, Gu and embedded into ONE embedding space -please confirm my assumption-). Can I input a QueryGraph1 (H20) to determine which of the 3 Target graphs the QueryGraph1 belongs to?
Then I would like NeuroMatch to output the "matching" TargetGraph for H20.
@qema or anyone on the NeuroMatch team! :)
Say, I have a number of discrete Target Graphs (like a graph representation of several Rx drugs) and I want to determine which specific discrete TargetGraph does my sub/query graph (a pair of atoms) belongs to? Is that possible?
Example: TargetGraph1 (Drug1), TargetGraph2 (Drug2) and TargetGraph3 (Drug3) (which are separated into subgraph neighborhoods, Gu and embedded into ONE embedding space -please confirm my assumption-). Can I input a QueryGraph1 (H20) to determine which of the 3 Target graphs the QueryGraph1 belongs to?
Then I would like NeuroMatch to output the "matching" TargetGraph for H20.