[Zinc-fans] About molecular descriptors and clustering.

[yasset perez riverol]

Hi, I've been doing virtual screening using ZINC
version 6. I've some quetions about the structure and
functionality of this database.
  1. First of all, in previous version the database
     should present some of redundance compounds. 
        a. diferent ZINC identifier and same mol2.
        b. diferent ZINC identifier and diferent mol2
           but same structure. What program you
           are using to identified same structure of
           different vendors.
  2. What program you are usinfg to calculate
     molecular descriptors, and which molecular
     descriptors you are calculating.
  3. What program do you used to clustering the
     database and, what molecular descriptor used to
     calculate the tanimoto coefficient.  
Thanks in advance 
Yasset  

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