[Zinc-fans] advice on search for analogues

[John J. Irwin]

Hi Tianhua

The on-line ZINC search tool can be useful for some searches, but has
numerous weaknesses. We therefore recommend downloading "all
purchasable" and performing the search locally, particularly if you want
to perform more than 1 or 2 searches.

Also, we are happy to recommend our colleagues: emolecules.com,
chemspider.com, pubchem, and CAS, all of which offer current vendor
catalogs and search interfaces that beat ZINC's, at least some of the time.

John


Wang Tianhua wrote:
> Hi,
> i have some hits and want to find commercially available similar compounds for testing. 
> Seems there are two strategies I can use, one is to convert these structures into SMILES files and search using the web-based interface ZINC provides. The other choice is to download the structures of the compounds from ZINC and use some internal searching application I have on my own PC. Which way do you think makes more sense. 
>
> Regards,
> Tianhua 
>
>
>
>       
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