Himmelstein, Daniel Brueggeman, Leo Baranzini, Sergio Pairwise molecular similarities between DrugBank compounds <p>Molecular similarities were calculated between pairs of DrugBank compounds using structures from the DrugBank SDF download. First, a Morgan (circular) fingerprint with radius 2 was calculated for each compound. Dice coefficients were used to quantify fingerprint similarity.</p> drugbank;fingerprints;Extended Connectivity Fingerprints;similarity;Biochemistry;Bioinformatics;Cheminformatics 2015-05-18
    https://figshare.com/articles/dataset/Pairwise_molecular_similarities_between_DrugBank_compounds/1418386
10.6084/m9.figshare.1418386.v1