toxicology Database Schema

Database Description

Database for chemical compounds with toxicology/carcinogenicity data.

Schema Structure
Schema information not available for this database.
Example Queries

SQL Query:
SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR000' ORDER BY T.element LIMIT 3
Evidence:

TR000 is the molecule id;

Difficulty: challenging

SQL Query:
SELECT COUNT(DISTINCT T1.molecule_id) FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element <> 's' AND T2.bond_type <> '='
Evidence:

double bond refers to bond_type = ' = '; bond_type ! = ' = '; sulphur refers to element = 's'

Difficulty: simple

SQL Query:
SELECT T2.element FROM connected AS T1 INNER JOIN atom AS T2 ON T1.atom_id = T2.atom_id WHERE T1.bond_id = 'TR001_10_11'
Evidence:

TR001_10_11 is the bond id;

Difficulty: challenging

SQL Query:
SELECT DISTINCT T1.element FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T2.bond_id = 'TR004_8_9'
Evidence:

TR004_8_9 bond atoms refers to bond_id = 'TR004_8_9';

Difficulty: challenging

SQL Query:
SELECT COUNT(T.atom_id) FROM atom AS T WHERE T.molecule_id = 'TR001'
Difficulty: simple
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