Table 1 The table gives the ZINC database IDs for the 157 drug-like molecules that are manually clustered in 6 groups, depending on their basic ring systems (clusters 1 to 3).
From: Breaking the hierarchy - a new cluster selection mechanism for hierarchical clustering methods
Cluster 1 | Cluster 2 | Cluster 3 |
|---|---|---|
06873823 | 06873893 | 06873927 |
06873855 | 06873894 | 06873929 |
06873857 | 06873895 | 06874039 |
06873861 | 06874719 | 06874040 |
06874015 | 06874720 | 06874109 |
06874088 | 06874722 | 06874174 |
06874162 | 06874724 | 06874175 |
06874204 | 06874725 | 06874176 |
06874206 | 06874726 | 06874178 |
06874209 | 06874727 | 06874243 |
06874212 | 06874728 | 06874244 |
06874300 | 06874729 | 06874256 |
06874301 | 06874732 | 06874257 |
06874342 | 06874733 | 06874258 |
06874351 | 06874734 | 06874259 |
06874352 | 06874750 | 06874260 |
06874356 | 06874764 | 06874262 |
06874360 | 06874767 | 06874921 |
06874361 | 06874768 | 06874923 |
06874364 | 06874769 | 06874924 |
06874479 | 06874771 | 06874925 |
06874527 | 06874772 | 06874928 |
06874531 | 06874789 | 06875012 |
06874540 | 06874790 | 06875013 |
06874573 | 06874792 | 06875014 |
06874578 | 06874793 | 06875015 |
06874579 | 06874794 | 06875016 |
06874583 | 06874795 | 06875017 |
06874586 | 06874802 | 06875018 |
06874588 | 06874912 | |
06874597 | 06875068 | |
06874599 | ||
06874634 | ||
06874635 | ||
06874639 | ||
06874696 | ||
06874833 | ||
06874836 | ||
06874975 | ||
06875048 | ||
06875051 | ||
06875052 | ||
06875055 | ||
06875058 | ||
06875060 | ||
06875064 |