Appendix Fig. A2.
An example of demonstrating to look up a known compound (e.g., dofetilide). The hERG data of a known compound can be looked up by its name, PubChem CID, or PubChem SID. The compound structure can be loaded to the molecular drawing tool, which facilitates the structure-based search. The example indicates a search result after removal of part of dofetilide structure. The subsequent structure search returns nine compounds, four of which are displayed. SID, substance ID.