Table 1. Statistics of Pathogen Attachment Neural Network (BRANN) Models Based on Molecular Descriptorsa.
training set | test set | ||||||
---|---|---|---|---|---|---|---|
model | Nhidden | Neff | Ndes | SEE | r2 | SEP | r2 |
multipathogen (MLR) | 22 | 22 | 0.30 | 0.59 | 0.28 | 0.60 | |
multipathogen | 7 | 488 | 41 | 0.16 | 0.86 | 0.19 | 0.81 |
P. aeruginosa | 8 | 246 | 30 | 0.17 | 0.88 | 0.17 | 0.87 |
S. aureus | 7 | 310 | 18 | 0.12 | 0.87 | 0.14 | 0.78 |
uropathogenic E. coli | 7 | 33 | 18 | 0.30 | 0.78 | 0.24 | 0.94 |
Neff is the number of effective adjustable weights, Ndes is the number of descriptors employed, Nhidden in the number of nodes in the hidden layer, SEE is the standard error of estimation, SEP is the standard error of prediction, and r2 is the squared correlation coefficient of the predictions.