toxicology Database Schema

SQL Query:

SELECT T.label FROM ( SELECT T2.label, COUNT(T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'h' GROUP BY T2.label ORDER BY COUNT(T2.molecule_id) DESC LIMIT 1 ) t

Evidence:

with hydrogen refers to element = 'h'; label most numerous in atoms refers to MAX(COUNT(label));

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 = 'TR001_2_4'

Evidence:

element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

SQL Query:

SELECT T2.label AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.atom_id = 'TR001_1'

Evidence:

label = '+' mean molecules are carcinogenic;

SQL Query:

SELECT CAST(COUNT(DISTINCT CASE WHEN T1.element <> 'f' THEN T2.molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+'

Evidence:

label = '+' mean molecules are carcinogenic; contain fluorine refers to element = 'f'; percentage = DIVIDE(SUM(element = 'f') * 100, COUNT(molecule_id)) where label = '+'; Should consider the distinct atoms when counting;

SQL Query:

SELECT T2.atom_id, T2.atom_id2 FROM atom AS T1 INNER JOIN connected AS T2 ON T2.atom_id = T1.atom_id WHERE T1.molecule_id = 'TR181'

Evidence:

TR181 molecule refers to molecule_id = 'TR181'