[Zinc-fans] question about searchin exact structures in ZINC

[Rafael Gozalbes]

Dear Zinc-fans,

I have tried to search exact structures in the ZINC database without 
success, and I would like to know if it is possible to perform such a 
query (lets say, is it possible for example to retrieve solely pyridine 
if in the query I indicate the smiles of pyridine??).

I have tried to perform my query by using the Tanimoto and Tversky 
thresholds as indicated in the HELP pages, but without success. 
Furthermore, I have the impression that Tversky thresholds do not work 
and the result is the same as  putting only the Tanimoto number.

Thanks in advance for your help/comments.

All the best:   Rafael

-- 
Rafael Gozalbes
Structural Biology Laboratory, Medicinal Chemistry Department
Centro de Investigación Príncipe Felipe (CIPF), www.cipf.es
Avda. Autopista del Saler, 16
46012 Valencia, SPAIN
Phone: +34 (96) 328 96 81 (ext. 1206)
Fax:   +34 (96) 328 97 01
Email: rgozalbes at cipf.es or rgozalbes at ochoa.fib.es