Table 3.
Scaled Shannon entropy (SSE) results for the first 70 chemotypes and the fraction of compounds contained in the top most populated chemotypes for the data sets.
| Database | SSE5 | SSE10 | SSE20 | SSE30 | SSE40 | SSE50 | SSE60 | SSE70 |
|---|---|---|---|---|---|---|---|---|
| Fungal metabolites | 0.967 | 0.959 | 0.954 | 0.954 | 0.956 | 0.947 | 0.943 | 0.942 |
| MEGx | 0.883 | 0.873 | 0.869 | 0.858 | 0.858 | 0.858 | 0.857 | 0.856 |
| NATx | 0.916 | 0.931 | 0.938 | 0.939 | 0.939 | 0.938 | 0.938 | 0.936 |
| GRAS | 0.617 | 0.57 | 0.541 | 0.526 | 0.517 | 0.512 | 0.507 | 0.501 |
| Anticancer drugs | 0.991 | 0.964 | 0.974 | 0.981 | 0.986 | 0.989 | 0.991 | 0.992 |
| Non-anticancer drugs | 0.769 | 0.750 | 0.762 | 0.777 | 0.789 | 0.799 | 0.803 | 0.809 |