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Pairwise molecular similarities between DrugBank compounds
dataset
posted on 2015-05-18, 22:46 authored by Daniel HimmelsteinDaniel Himmelstein, Leo BrueggemanLeo Brueggeman, Sergio BaranziniSergio BaranziniMolecular 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.
