Extract approved Drugs from Chembl 29 local database

extract_approved_drugs.py

import psycopg2
import pandas as pd
import pandas.io.sql as sqlio

con = psycopg2.connect(database="chembl_29", user="leelasd", password="", host="127.0.0.1", port="5432")

print("Database opened successfully")

sql="""SELECT DISTINCT m.chembl_id AS compound_chembl_id,s.canonical_smiles,
m.molregno,
m.structure_type,
m.first_in_class,
m.indication_class,
m.first_approval
FROM compound_structures s
  RIGHT JOIN molecule_dictionary m ON s.molregno = m.molregno
  JOIN compound_records r ON m.molregno = r.molregno
  AND m.max_phase IN (3,4)
"""
dat = sqlio.read_sql_query(sql, con)
dat.to_csv('new_approved.csv',index=False)
print("Operation done successfully")
con.close()