Thank you for the information.  When searching through the ZINC database, is it possible to exclude molecules containing certain functional groups, such as an amino group?<div><br></div><div>Nancy</div><div><br></div><div>
<br><br><div class="gmail_quote">On Fri, May 25, 2012 at 6:24 PM, Aldo Segura <span dir="ltr">&lt;<a href="mailto:aldosegura@gmail.com" target="_blank">aldosegura@gmail.com</a>&gt;</span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Nancy,<br>
<br>
I don&#39;t know how Pubchem works but I think that you should try to use<br>
ZINC database (<a href="http://zinc.docking.org" target="_blank">zinc.docking.org</a>) which has implemented a large number<br>
of filters (pH, toxic functional groups, etc) and the selected<br>
compounds can be downloaded as a compound library.<br>
<br>
Best regards,<br>
<br>
Aldo<br>
--<br>
=========================================<br>
Aldo Segura-Cabrera<br>
Laboratorio de Bioinformática<br>
Centro de Biotecnología Genómica<br>
Instituto Politécnico Nacional<br>
Blvd. Del Maestro esquina Elías Piña, 88710<br>
Reynosa, Tamaulipas, México.<br>
(899)9243627 ext. 87729<br>
e-mail: <a href="mailto:asegurac@ipn.mx">asegurac@ipn.mx</a>; <a href="mailto:aldosegura@gmail.com">aldosegura@gmail.com</a><br>
=========================================<br>
<br>
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