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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   
  1. To each ID the prefix ZINC has to be added, i.e., first molecule's ID is: ZINC06873823.