Table 1.
Top ten compounds information of GJZLP network.
| MOL ID | Compound | Molecule structure | Degree | OB | DL | Average Shortest Path Length | Betweenness Centrality | Closeness Centrality | Hepatotoxicity | AMES Toxicity | Herb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| MOL000098 | quercetin |
|
150 | 46.43 | 0.28 | 1.914634146 | 0.454008164 | 0.522292994 | — | + | Ginkgo biloba Prunus mume |
| MOL000422 | luteolin |
|
60 | 41.88 | 0.24 | 2.451219512 | 0.078896442 | 0.407960199 | — | + | Ginkgo biloba Prunus mume |
| MOL006821 | Epigallocatechin Gallate |
|
57 | 55.09 | 0.77 | 2.146341463 | 0.333159226 | 0.465909091 | – | – | Ginkgo biloba |
| MOL000358 | beta-sitosterol |
|
52 | 36.91 | 0.75 | 2.658536585 | 0.023859362 | 0.376146789 | – | — | Stemona tuberosa Ginkgo biloba Prunus mume |
| MOL000392 | formononetin |
|
24 | 69.67 | 0.21 | 2.719512195 | 0.035755506 | 0.367713004 | — | – | Stemona tuberosa Ginkgo biloba |
| MOL000449 | Stigmasterol |
|
18 | 43.83 | 0.76 | 2.682926829 | 0.038300743 | 0.372727273 | — | — | Stemona tuberosa Ginkgo biloba Prunus mume |
| MOL002773 | beta-carotene |
|
17 | 37.18 | 0.58 | 2.634146341 | 0.049200908 | 0.37962963 | – | – | Ginkgo biloba |
| MOL001439 | arachidonic acid |
|
15 | 45.57 | 0.20 | 2.658536585 | 0.07091199 | 0.376146789 | — | - | Cordyceps sinensis |
| MOL000354 | isorhamnetin |
|
10 | 49.6 | 0.31 | 2.719512195 | 0.010605981 | 0.367713004 | — | + | Ginkgo biloba |
| MOL009374 | 7-methoxy-3-methyl-2,5-dihydroxy-9,10-dihydrophenanthrene |
|
8 | 59.00 | 0.21 | 2.743902439 | 0.013785809 | 0.364444444 | – | + | Stemona tuberosa |
Tip: For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1(—), 0.1-0.3(–), 0.3-0.5(-), 0.5-0.7(+), 0.7-0.9(++), and 0.9-1.0(+++). OB, Oral Bioavailability; DL, Drug-Likeness; AMES, The bacterial reverse mutation test. AMES Toxicity will only be shown as "++" or "+++" if the toxicity of the chemical is high. The absence of "++" and "+++" in the table proves that the toxicity of the TCM ingredients is low.