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.