Table highlights all the evaluation metrics available in moleval split into intrinsic properties (based solely on de novo molecules) and extrinsic properties (in reference to an external dataset). Some additional metrics not found in MOSES for intrinsic properties include sphere exclusion diversity (SEDiv) , scaffold uniqueness, scaffold diversity, functional group and ring system diversity and a measure of purchasability in the ZINC20 in-stock catalogue using molbloom . Additional metrics for extrinsic properties include analogue similarity and coverage, functional group and ring system similarity and average fraction of outlier bits (a.k.a. 'Silliness' ) i.e., the average ratio of ECFP4 fingerprint bits not found in the reference dataset indicating. For a more detailed description of each metric see the Supplementary Information.