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. Author manuscript; available in PMC: 2023 Jan 31.
Published in final edited form as: Chem Res Toxicol. 2020 Dec 21;34(2):495–506. doi: 10.1021/acs.chemrestox.0c00322

Table 2:

Bond features selection.25

Features Size Descriptions
bond type 4 single, double, triple, or aromatic
stereo 6 E/Z, cis/trans, any, or none
in ring 1 whether the bond is part of a ring
conjugated 1 whether the bond is conjugated