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 T2.bond_id, T2.atom_id2, T1.element AS flag_have_CaCl FROM atom AS T1 INNER JOIN connected AS T2 ON T2.atom_id = T1.atom_id WHERE T2.bond_id = 'TR001_1_8' AND (T1.element = 'c1' OR T1.element = 'c')

Evidence:

chlorine refers to element = 'cl'; carbon refers to element = 'c'

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';

SQL Query:

SELECT T.molecule_id FROM ( SELECT T3.molecule_id, COUNT(T1.bond_type) FROM bond AS T1 INNER JOIN molecule AS T3 ON T1.molecule_id = T3.molecule_id WHERE T3.label = '+' AND T1.bond_type = '=' GROUP BY T3.molecule_id ORDER BY COUNT(T1.bond_type) DESC LIMIT 1 ) AS T

Evidence:

label = '+' mean molecules are carcinogenic; double bond refers to bond_type = ' = ';

SQL Query:

SELECT COUNT(DISTINCT T.molecule_id) FROM bond AS T WHERE T.molecule_id BETWEEN 'TR004' AND 'TR010' AND T.bond_type = '-'

Evidence:

single bond refers to bond_type = '-'; molecules between TR004 to TR010 refers molecule_id BETWEEN 'TR004' and 'TR010';