ChEMBL Database MySQL or Oracle DB

User f7fd3e897c

08-11-2012 09:35:46

I am really interested to know how to access the ChEMBL db from the following link through Instant JChem


ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_14/


MySQL or Oracle files are required inorder to have a proper search query!


Infact there is a SDF file, but there are issues while searching compounds


So, please let me know the best method to integrate mySQL or Oracle database file with IJC.


Note: Do I need to install Oracle or MySQL softwares in order to make the files from ChEMBAL db to work?

ChemAxon 60ee1f1328

08-11-2012 10:38:04

They have delivered there data in several ways. Your options are :


1. Collect all the SDF files in one place and use this script (Oracle or Mysql): If you use this way you probs have to define your own db objects.


http://www.chemaxon.com/instantjchem/ijc_latest/docs/developer/scripts/multiSDFimporter.html


2. Collect all the .dmp files and use Oracle import function, one at a time or script the calls (Oracle only). I suspect you will be prescribed your object structures in this and the next case.


3. mysql, you could try this one.


http://www.cyberciti.biz/faq/import-mysql-dumpfile-sql-datafile-into-my-database/


 


OK - good luck, I not tried to process this whole set before, please tell us how you get on !


Thanks,


Daniel.