10.6084/m9.figshare.c.3798142_D1.v1 Peter Ertl Peter Ertl MOESM1 of An algorithm to identify functional groups in organic molecules Springer Nature 2017 Functional group Chemical functionality Organic chemistry Medicinal chemistry 2017-06-07 05:00:00 Dataset https://springernature.figshare.com/articles/dataset/MOESM1_of_An_algorithm_to_identify_functional_groups_in_organic_molecules/5090899 Additional file 1. List of 768 functional group with their frequencies in pseudo-SMILES notation.