From owner-chemistry(+ at +)ccl.net Mon Sep 22 16:27:00 2014 From: "iweidlic iweidlic^-^coddes.com" To: CCL Subject: CCL: New Web Tool to Mine Pubchem Bioassay Data Message-Id: <-50523-140922160518-29801-GKHktYWhdU2/66/WTL6srg-.-server.ccl.net> X-Original-From: iweidlic Content-Type: multipart/alternative; boundary="----=_Part_683570_1606032207.1411416307078" Date: Mon, 22 Sep 2014 15:05:07 -0500 (EST) MIME-Version: 1.0 Sent to CCL by: iweidlic [iweidlic###coddes.com] ------=_Part_683570_1606032207.1411416307078 MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 7bit Dear Colleagues, I am happy to announce a new free web based interface to search pubchem bioassay database from website. Available under "QSAR"collection our tool combines the assay data with the molecular structures in a single downloadable SD file. The search interface is a simple google-like search box. The results of the text search are presented as a list of assay ids with short descriptions. A user can select one or several assays of interest and either download the combined SD file with the assay data for further analysis offline (for example with Diversity Genie you can filter, sort, visualize and manipulate sd files) or use the data for QSAR model creation directly on website. Iwona Weidlich CODDES, LLC ------=_Part_683570_1606032207.1411416307078 MIME-Version: 1.0 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: 7bit

Dear Colleagues,

I am happy to announce a new free web based interface to search pubchem bioassay database from charmming.org website.

Available under "QSAR"collection our tool combines the assay data with the molecular structures in a single downloadable SD file.
The search interface is a simple google-like search box. The results of the text search are presented as a list of assay ids with short descriptions.

A user can select one or several assays of interest and either download the combined SD file with the assay data for further analysis offline (for example with Diversity Genie www.diversitygenie.com you can filter, sort, visualize and manipulate sd files) or use the data for QSAR model creation directly on charmming.org website.

Iwona Weidlich

CODDES, LLC

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