[gmx-users] In Silico Compound Library Search
Lucio Ricardo Montero Valenzuela
lucioric at ibt.unam.mx
Tue May 22 18:39:23 CEST 2012
The ZINC database page and the NIH PubChem one can help you in that.
El sáb, 19-05-2012 a las 18:10 -0700, Nancy escribió:
> Hi All,
> Does anyone know of a free cheminformatic service from which it's
> possible to narrow down a search for molecules by inputting limits on
> their molecular parameters, such as molecular weight or the number of
> hydrogen bond donors, etc? Such a resource would be of great help.
> Thanks in advance,
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