toxicology Database Schema

SQL Query:

SELECT CAST(SUM(CASE WHEN T1.label = '+' THEN 1 ELSE 0 END) AS REAL) * 100 / COUNT(DISTINCT T1.molecule_id) FROM molecule AS T1 INNER JOIN atom AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T1.molecule_id = T3.molecule_id WHERE T3.bond_type = '#' AND T2.element = 'h'

Evidence:

hydrogen refers to element = 'h'; label = '+' mean molecules are carcinogenic; triple bond refers to bond_type = '#'; percentage = DIVIDE(SUM(label = '+'), COUNT(molecule_id)) * 100.0 where element = 'h' AND bond_type = '#';

SQL Query:

SELECT T.molecule_id FROM atom AS T WHERE T.element = 'c'

Evidence:

carbon refers to element = 'c';

SQL Query:

SELECT T.atom_id FROM connected AS T WHERE T.bond_id = 'TR000_2_5'

Evidence:

TR000_2_5 is the bond id

SQL Query:

SELECT T1.bond_id, T2.atom_id, T2.atom_id2 FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T1.bond_type = '-'

Evidence:

single bond refers to bond_type = '-';

SQL Query:

SELECT DISTINCT T.molecule_id FROM bond AS T WHERE T.bond_type = '='

Evidence:

double bond refers to bond_type = ' = ';