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Table 1 Best scores for classical objectives

From: EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation

Method   QED plogP plogP
ChemGE [26]     5.88
GB-GA [27]     7.40
GCPN [23]   0.948   7.98
MolDQN [24]   0.948 11.84  
Zhang et al. [25]   0.954 12.96  
EvoMol pop. 1 0.922 14.49 11.19
pop. 1000 0.948 18.06 13.79
EvoMol {CNOF} pop. 1 0.902 13.88 11.19
pop. 1000 0.948 13.88 11.19
  1. The values for state-of-the-art methods are reported from original articles. The results for EvoMol are the average of the maximum over 10 executions. The Symbol stands for normalised version of plogP