CompoundID in LibraryMCS

User 0d8815035d

28-09-2012 12:31:29

Dear all,


I had been using Library MCS for carrying out cluster analysis of a library..

After carrying out cluster it analysis... the results tab shows 

1) cluster id for a specfic ring system and then says

2) Compound (111)  and then a particular ring system from first node...what does this value signifies to this structure? is it corresponding to the number of compounds having that particular ring system?


Please reply asap




ChemAxon efa1591b5a

01-10-2012 10:58:03


The value have no significance with respect to the actual ring system (i.e. the scaffold), it is just a unique identifier to refer to that structure (eg. when it is exported to a structure file).