Molecule2PubChemLCSS

Molecule2PubChemLCSS
by Jordi Cuadros
This Google spreadsheet will allow anyone to connect a list of up to 1,000 chemical names to safety chemical information available in PubChem LCSS.  To obtain the spreadsheet you click the content link, which directs you to Google Docs and allows you to make your own copy of the sheet.  It comes preloaded with 10 items on the sheet, after a few seconds redundant items became grayed out, unique chemicals are converted to black pring and non chemicals stay red.  If you click the “OrderedStockroom” tab you will see a table listing the number of chemicals, their PubChem ID, their alphabetically ordered IUPAC name and a link to the PubChem LCSS.

PubChem aggregates chemical safety data from a variety of databases and models the Laboratory Chemical Safety Summaries of the National Research Councils Prudent Practices in the Laboratory.  The provenance of all data is maintained and this spreadsheet thus connects a database to updated and evolving chemical safety information, with a direct link to the original source

This is an application that uses InChI in identifying unique chemicals and in communicating with the database, and was developed by Jordi Cuadros of Universitat Ramon Llull.  The followind youtube shows how to use and access this resource