InChI: open-source chemical structure representation algorithm

PubChem Substance and Compound databases

Sunghwan Kim, Paul A. Thiessen, Evan E. Bolton, Jie Chen, Gang Fu, Asta Gindulyte, Lianyi Han, Jane He, Siqian He, Benjamin A. Shoemaker, Jiyao Wang, Bo Yu, Jian Zhang and Stephen H. Bryant.
Nucleic Acids Research. 2015 Published online 22 September 2015.