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. Author manuscript; available in PMC: 2021 Feb 28.
Published in final edited form as: J Chem Inf Model. 2018 Jun 13;58(6):1214–1223. doi: 10.1021/acs.jcim.8b00124

Table 2.

Calculated MODI for each set of descriptors.

Datasets Descriptors
Morgan PaDEL SiRMS DRAGON
Ames mutagenicity 0.70 0.71 0.72 0.70
Aquatic toxicity 0.77 0.80 0.78 0.79
Hepatotoxicity 0.58 0.67 0.68 0.57
hERG 0.70 0.71 0.72 0.71
Skin sensitization 0.75 0.72 0.72 0.72