Table 2. This table lists the 19 pathways whose activity could be predicted by combinations of PCFs.
KEGG ID | Pathway | R2 average | R2 | Feature Type | ||
rno04810 | Regulation of actin cytoskeleton | 0.53 | 0.53 | GETAWAY descriptors | GETAWAY descriptors | ET-state Indices |
rno05222 | Small cell lung cancer | 0.52 | 0.57 | RDF descriptors | GSFRAG Descriptor | GETAWAY descriptors |
rno04310 | Wnt signaling pathway | 0.53 | 0.57 | GSFRAG Descriptor | Information indices | GSFRAG Descriptor |
rno04540 | Gap junction | 0.53 | 0.57 | Geometrical descriptors | ET-state Indices | 3D-MoRSE descriptors |
rno04720 | Long-term potentiation | 0.53 | 0.57 | GETAWAY descriptors | Information indices | GSFRAG Descriptor |
rno04730 | Long-term depression | 0.53 | 0.54 | RDF descriptors | ET-state Indices | Geometrical descriptors |
rno04912 | GnRH signaling pathway | 0.52 | 0.55 | GETAWAY descriptors | WHIM descriptors | WHIM descriptors |
rno04916 | Melanogenesis | 0.52 | 0.53 | 3D-MoRSE descriptors | Geometrical descriptors | ET-state Indices |
rno00860 | Porphyrin and chlorophyll metabolism | 0.52 | 0.53 | ET-state Indices | GSFRAG Descriptor | WHIM descriptors |
rno00010 | Glycolysis/Gluconeogenesis | 0.52 | 0.53 | GSFRAG Descriptor | GSFRAG Descriptor | WHIM descriptors |
rno01430 | Cell Communication | 0.52 | 0.57 | Geometrical descriptors | ET-state Indices | GETAWAY descriptors |
rno04920 | Adipocytokine signaling pathway | 0.51 | 0.53 | GSFRAG Descriptor | GSFRAG Descriptor | 2D autocorrelations |
rno04012 | ErbB signaling pathway | 0.53 | 0.57 | RDF descriptors | ET-state Indices | Geometrical descriptors |
rno05215 | Prostate cancer | 0.52 | 0.53 | RDF descriptors | GSFRAG Descriptor | GETAWAY descriptors |
rno04664 | Fc epsilon RI signaling pathway | 0.53 | 0.55 | 3D-MoRSE descriptors | GSFRAG Descriptor | 2D autocorrelations |
rno05214 | Glioma | 0.52 | 0.55 | 3D-MoRSE descriptors | Molecular properties | Topological charge indices |
rno05218 | Melanoma | 0.51 | 0.59 | ET-state Indices | 3D-MoRSE descriptors | Geometrical descriptors |
rno04930 | Type II diabetes mellitus | 0.53 | 0.57 | WHIM descriptors | GSFRAG Descriptor | GSFRAG Descriptor |
rno00480 | Glutathione metabolism | 0.51 | 0.54 | Edge adjacency indices | Information indices | 3D-MoRSE descriptors |
For each pathway the average R value given the model population, the model with the highest R value and the descriptor group features responsible for the correlation are shown. A detailed table with the features that have been selected for these models can be found in Table S3.