Correction to: J Cheminform 14: 40 (2022) https://doi.org/10.1186/s13321-022-00623-6
The original publication of this article  contained 2 errors. The incorrect and correct information is shown below, the original article has been updated.
The incorrect author name is: Rui Brito.
The correct author name is: Rui M. M. Brito.
The affiliation “Universidade de Coimbra, CQC-IMS, Department of Chemistry, 3004-535 Coimbra, Portugal” was missing from Dr. Brito.