TABLE 2.
Antimicrobial activity | r2 | F value | r2 (cv) | Descriptors |
---|---|---|---|---|
All compounds | ||||
Log(1/MICE. coli) | 0.70 | 8.23 | 0.28 | Kier flexibility, NNmin |
Log(1/MICS. aureus) | 0.69 | 7.84 | 0.33 | Avg structural information content (order 2), relative no. of rings |
Log(1/ENC50) | 0.72 | 8.81 | 0.36 | Avg information content (order 1), no. of O atoms |
Only compounds 1-7 | ||||
Log(1/MICE. coli) | 0.93 | 26.5 | 0.78 | NNmin, ZX shadow |
Log(1/MICS. aureus) | 0.96 | 50.0 | 0.92 | Avg information content (order 2), ZX shadow/ZX rectangle |
Log(1/ENC50) | 0.98 | 88.6 | 0.92 | YZ shadow/YZ rectangle, Balaban index |