RDKit cheminformatics Neo4j Integration
Motivation of this GSoC project was implementation of connection of RDKit, a well known and widely used open source software for dealing with chemical structures, with neo4j, a well known and widely used graph database.
• store and index chemical structure information on Neo4j nodes
• conduct exact as well as sub-structure searches to identify entry points to the graph
• filter paths with exact and sub-structures to create focussed results