Figure 1.
The number of small molecules against the number of pathway classes.
Table 1.
Distribution of 3,348 small molecules and 654 enzymes of yeast in the 11 metabolic pathway classes.
Figure 2.
The number of enzymes against the number of pathway classes.
Table 2.
The interactive compounds and proteins of C07277 and YLL058W.
Table 3.
The likelihood of C07277 and YLL058W belonging to each pathway class.
Table 4.
The prediction accuracies obtained by our method for small molecules, enzymes, and all samples.
Figure 3.
Three curves showing the changes of proportions of interactions contributing to the prediction when increasing the confidence score, where the chemical-chemical curve addresses chemical-chemical interactions, chemical-protein curve chemical-protein interactions, protein-protein curve protein-protein interactions.
The X-axis is the confidence score. The Y-axis is the proportion of interactions contributing to the prediction. Generally, chemical-protein curve and protein-protein curve are ascending with the increase of confidence score, while chemical-chemical curve remains at a low level for low confidence scores and starts to increase quickly for high confidence scores.
Table 5.
The distribution of samples with incorrect 1-st order predicted pathway class in 11 pathway classes.
Table 6.
Interactive compounds and enzymes of C00439 in pathway classes M5 and M8.