CCL: New Web Tool to Mine Pubchem Bioassay Data



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