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LillyMol/utils/search.py
mm644706215 64d80d2e3c first add
2025-09-17 22:14:05 +08:00

17 lines
447 B
Python

import sqlite3
# 连接到数据库
conn = sqlite3.connect('../test/data/35/data/chembl_35/chembl_35_sqlite/chembl_35.db')
# 查询抗生素相关分子 (修正版)
query = """
SELECT m.chembl_id, m.pref_name, cs.molecule_synonym
FROM molecule_synonyms cs
JOIN molecule_dictionary m ON cs.molregno = m.molregno
WHERE cs.molecule_synonym LIKE '%antibiotic%'
LIMIT 10
"""
cursor = conn.execute(query)
for row in cursor.fetchall():
print(row)