CompoundDB4j

This project contains the sources for integration of bio databases - ChEMBL and DrugBank.

Installation & Setup

Install Neo4j community edition from neo4j download center: https://neo4j.com/download-center/#community (We used Version 3.2.14 )
Download and Unzip the file from the above share - https://agbi.techfak.uni-bielefeld.de/CompoundDB4j
Copy the unzipped file to data folder of Neo4j (e.g. neo4j-community-3.5.16/data/database)
In Neo4j Community folder change the configuration file : conf/neo4j.conf as follows:
- Comment this line "dbms.directories.import=import"
- Change the value of this line "dbms.security.auth_enabled=true" to false.
- Change the value of this line "dbms.memory.heap.max_size=1G" to 10G
- Add this line "dbms.security.allow_csv_import_from_file_urls=true"
- Uncomment and change the value as "dbms.active_database=CompoundDB4j.db"
Save the file
Open the terminal and run the command ./bin/neo4j console
When the command is executed, it provides a url where the database runs.
Redirect to the url.
CompoundDb4j is now ready for operations (i.e Required data from ChEMBL and DrugBank are populated in Neoj)