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Construction of an integrated database for hERG blocking small molecules

Fig 6

Transition in the number of unique compounds and coverage of Murcko frameworks for hERG inhibitors, inactive compounds, and all reported compounds.

Coverage of Murcko frameworks was calculated as the ratio to those of all ChEMBL22 compounds (438,551).

Fig 6

doi: https://doi.org/10.1371/journal.pone.0199348.g006