Table 10.
The percentages of the 10 most frequent topologies present in each of the databases examined. The numbers in boldface refer to the rank in the merged database; the corresponding scaffold topologies are displayed in Figure 6a. The numbers at the bottom are the sum of the 10 percentages above. At least half the population of each database lies above the horizontal line segment dividing the corresponding column.
| Chem Navigator | DNP | Drugs | PubChem | PC actives | DSSTox | WOMBAT | GDB | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2. | 22.694 | 4. | 11.831 | 1. | 19.548 | 1. | 20.740 | 1. | 13.642 | 4. | 29.808 | 3. | 13.200 | 10. | 41.721 |
| 1. | 19.646 | 10. | 9.249 | 4. | 16.630 | 2. | 15.457 | 3. | 11.101 | 14. | 25.057 | 1. | 12.901 | 14. | 24.765 |
| 3. | 11.196 | 18. | 9.226 | 3. | 11.379 | 3. | 11.509 | 4. | 10.771 | 1. | 13.997 | 2. | 10.160 | 1. | 15.414 |
| 5. | 6.474 | 14. | 8.633 | 14. | 6.492 | 4. | 8.212 | 2. | 7.652 | 10. | 5.517 | 4. | 6.588 | 4. | 4.755 |
| 6. | 5.609 | 3. | 6.643 | 10. | 5.945 | 5. | 4.033 | 10. | 4.743 | 3. | 5.492 | 5. | 5.101 | 18. | 3.953 |
| 7. | 3.590 | 1. | 6.140 | 26. | 5.872 | 10. | 3.354 | 18. | 4.681 | 18. | 3.372 | 10. | 3.779 | 46. | 2.765 |
| 4. | 2.979 | 26. | 5.356 | 2. | 4.887 | 6. | 2.824 | 14. | 3.837 | 26. | 3.218 | 6. | 3.510 | 57. | 2.425 |
| 8. | 2.505 | 48. | 2.872 | 18. | 3.939 | 7. | 2.573 | 11. | 3.130 | 2. | 1.865 | 11. | 2.741 | 58. | 0.977 |
| 9. | 2.486 | 2. | 2.437 | 8. | 3.319 | 14. | 2.466 | 26. | 2.721 | 8. | 1.737 | 18. | 2.399 | 114. | 0.910 |
| 13. | 2.094 | 37. | 1.625 | 23. | 2.553 | 8. | 2.204 | 7. | 2.220 | 23. | 1.252 | 7. | 2.375 | 122. | 0.610 |
| 79.273 | 64.012 | 80.564 | 73.372 | 64.498 | 91.315 | 62.754 | 98.295 | ||||||||