AI/ML Papers Using InChI

Papers Citing InChI and Using Various AI/ML Applications

Towards a Universal SMILES representation – A standard method to generate canonical SMILES based on the InChI.
O'Boyle, Noel M.
J Cheminform 4 22 (2012).
DOI: https://www.inchi-trust.org/wp
Consistency of systematic chemical identifiers within and between small-molecule databases.
Akhondi, Saber A.; Kors, Jan A.; Muresan, Sorel
J Cheminform 4 35 (2012).
DOI: https://www.inchi-trust.org/wp
Enhancement of the Chemical Semantic Web through the Use of InChI Identifiers
Coles, Simon J., Day, Nick E., Murray-Rust, Peter, Rzepa, Henry S., Zhang, Yong
Org Biomol Chem 3 (10) 1832–1834 (2005).
DOI: https://doi.org/10.1039/b502828k