Archive for the ‘EPA Presentations’ Category

Predicting organ toxicity using in vitro bioactivity data and chemical structure   Leave a comment

I get to work with some great scientists in my job. I am getting to work on projects that a couple of years ago were way out of my depth. Let’s be honest, I have no formal training as a toxicologist and my training is formally as an analytical scientist, then cheminformatician, then into publishing […]

Posted August 6, 2017 by tony in EPA Presentations

Comparing the EPA CompTox Dashboard with ChemSpider for MS-based Structure Identification   Leave a comment

It’s almost ten years, this April, since ChemSpider was released to the public at the 233rd ACS meeting in Chicago. For two years, prior to being acquired by RSC in May 2009, we worked very closely with a number of mass spectrometry vendors including Waters (Micromass), Thermo and Agilent. I always considered that the work that we […]

Spring ACS Meeting San Francisco, April 2017   Leave a comment

The Spring ACS Meeting is coming, and it’s coming quickly. Every time the New Year starts I think I have a long time before I have to assemble posters and write talks for the ACS Meeting. When I worked at the RSC it was easier in some ways as NO ONE reviewed them, no one gave […]

The EPA Online Prediction Physicochemical Prediction Platform to Support Environmental Scientists   Leave a comment

This poster was presented at the American Chemical Society in Philadelphia in August 2016 at the Sci-Mix gathering and at the ENVR section on Wednesday. SESSION: Sci-Mix SESSION TIME: August 22, 2016 from 8:00 PM to 10:00 PM and SESSION TIME: Wednesday, August, 24, 2016, 6:00 PM – 8:00 PM ROOM & LOCATION: Hall D – […]

Investigating Impact Metrics for Performance for the US-EPA National Center for Computational Toxicology   Leave a comment

This presentation was presented at the American Chemical Society in Philadelphia in August 2016 DAY & TIME OF PRESENTATION: Sunday, August, 21, 2016 from 4:10 PM – 4:30 PM ROOM & LOCATION: Room 112B – Pennsylvania Convention Center Title: Investigating Impact Metrics for Performance for the US-EPA National Center for Computational Toxicology The U.S. Environmental […]

Structure Identification Using High Resolution Mass Spectrometry Data and the EPA’s Chemistry Dashboard   Leave a comment

This presentation was presented at the American Chemical Society in Philadelphia in August 2016 DAY & TIME OF PRESENTATION: Sunday, August, 21, 2016 from 1:10 PM – 1:35 PM ROOM & LOCATION: Room 105A – Pennsylvania Convention Center Title: Structure Identification Using High Resolution Mass Spectrometry Data and the EPA’s Chemistry Dashboard The iCSS Chemistry […]

Presentations and Posters at #ACSPhiladelphia August 2016   Leave a comment

I will be delivering five presentations and a poster (twice) at the ACS Meeting in Philadelphia this week. These presentations will introduce the latest version of our CompTox Dashboard, renamed from the iCSS Chemistry Dashboard because now we are offering way more than just a large set of chemical structures! I look forward to introducing […]

The needs for chemistry standards, database tools and data curation at the chemical-biology interface   Leave a comment

This presentation was given at the Society of Laboratory Automation and Screening in San Diego, California on January 25th 2016. The needs for chemistry standards, database tools and data curation at the chemical-biology interface This presentation will highlight known challenges with the production of high quality chemical databases and outline recent efforts made to address […]

Posted January 28, 2016 by tony in EPA Presentations

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