Correction to: J Cheminform (2021) 13:45 https://doi.org/10.1186/s13321-021-00528-w

It was highlighted that in the original article [1] the heading of Table 2 was misaligned. This Correction article shows the correct Table 2. The original article has been updated.

Table 2 Comparison of GDMIN and optGM parameterization of SQE with HBO atomic types