From: Antony Williams <tony27587**At_Symbol_Here**gmail.com>

Subject: [CHMINF-L] Announcing the Chemistry Dashboard from the National Center for Computational Toxicology

Date: April 7, 2016 at 10:24:04 AM EDT

Colleagues,

I wish to announce a new chemistry data resource for the community. Since joining the National Center for Computational Toxicology at the Environmental Protection Agency we have been working to deliver access to a data collection that has been assembled to support our activities in the environmental sciences.

The Chemistry Dashboard is available online as a BETA release athttps://comptox.epa.gov. For this first release we have rolled out only text-based searching by alphanumeric text and only one chemical at a time. We will of course introduce the expected structure/substructure searching in the future as well as list searching. We have worked especially hard on releasing curated physicochemical data as described in this poster: http://tinyurl.com/j59wz73.

For mass spectrometrists especially we have worked on some searches (available under Advanced Search) to allow them to use the platform to support structure identification. Your colleagues working in MS may be interested. 

We will continue to update the data and functionality throughout the year but I welcome any feedback on this early beta release.

Thanks as usual to the CINF Division for all it does. Looking forward already to getting to the ACS Philadelphia meeting!

Antony J. Williams, Ph.D.
National Center for Computational Toxicology
U.S. Environmental Protection Agency
109 T.W. Alexander Drive

Room D131I, Mail Drop D143-02

Research Triangle Park,  NC   27711

Office Phone: 919-541-1033

Mobile Phone: 919-698-0526
Fax: 919-541-4849