Erratum to: J Cheminform (2017) 9:17 DOI 10.1186/s13321-017-0203-5

After publication of this work [1], it was noticed that the author’s name was spelt incorrectly. His name should be spelt as: Vladimir Chupakhin. The ‘h’ was missing from his surname.

The publisher apologises for these errors.

The original article has been updated.