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. Author manuscript; available in PMC: 2021 Feb 23.
Published in final edited form as: ALTEX. 2020 Oct 9;38(1):123–137. doi: 10.14573/altex.2006262

Tab. 3:

Spearman (rank) correlations of PAC content summarized across sets of ring classes suggests that the summary of PAC 3–7 rings is most predictive of overall bioactivity

PAC content Correlation with ToxPi bioactivity
Rings 3–7 0.89
Rings 4–7 0.70
Rings 5–7 0.51
Rings 1–2 0.36
3 Ring 0.84
4 Ring 0.73
5 Ring 0.55
6 Ring 0.43
7 Ring 0.29

The greatest individual contributions arise from 3 ring and 4 ring content.