Fig. 4

Example for use of Depiction Penalty Score. The Depiction Penalty Score is a metric to assess the quality of 2D depictions generated using RDKit. a 2D depiction of ‘HME’ with a high Depiction Penalty Score, highlighting some minor bond clashes and suboptimal atom distances in the 2D depiction, generated using the connectivity-based method. b 2D depiction of ‘HME’ with a Depiction Penalty Score of 0, indicating a high-quality representation with no bond clashes generated using the template-based method