CCL: How to identify duplicates for the same molecule that correspond to different tautomers or protonation states?

[Gerard Pujadas <gerard.pujadas^-^gmail.com>]

 Dear CCL subscribers,

I am interested in building a chemical database
 from different chemical suppliers
 databases. One of the things that I would like to avoid is the
 repetition of different structures in my database that correspond to the same
 molecule (for instance, if in the
 database of two different chemical suppliers the structure for the same
 molecule is in a different tautomer or protonation state, I would like to
 identify that they correspond to the same molecule). Any suggestion about how to
 achieve this?

With many thanks in advances for your help
 
Yours sincerely

Gerard


-- 
Gerard Pujadas
http://bioquimica.urv.cat/eng/fitxa.jsp?id=22
Nutrigenomics
 Research Group
 phone +34 977 55 (9565)
Biochemistry and Biotechnology
 Department
Universitat Rovira i Virgili
Tarragona, Catalonia