Correction to: Journal of Cheminformatics (2021) 13:100 https://doi.org/10.1186/s13321-021-00578-0

Following publication of the original article [1], the have been notified by the authors that some corrections were missed.

  1. 1.

    The capitation of Fig. 6 has been corrected.

  2. 2.

    A few other minor corrections in the body of the text.

The original article has been corrected.