Archive for the ‘Publications and Presentations’ Category

Open Science for Identifying “Known Unknown” Chemicals http://dx.doi.org/10.1021/acs.est.7b01908   Leave a comment

I am happy to announce the publishing of an article regarding “Open Science for Identifying “Known Unknown” Chemicals” at http://dx.doi.org/10.1021/acs.est.7b01908. I have been involved with two other articles about the identification of “Known Unknowns”. The first one was a ChemSpider article: “”Identification of “known unknowns” utilizing accurate mass data and ChemSpider”. Journal of The American […]

In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning   Leave a comment

Recently we published on the curation of physicochemical data sets that were then made available as Open Data. The work was reported in: “An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling, SAR and QSAR in Environmental Research, K. Mansouri, C.Grulke, R. Judson and A.J. Williams, SAR […]

Posted February 19, 2017 by tony in Publications and Presentations

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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 […]

PRESENTATION: Building an Online Profile Using Social Networking and Amplification Tools for Scientists   Leave a comment

This presentation was given as a 2 hour hands-on training course at the Frontier Building in the Research Triangle Park in NC funded by an Industry Award Grant from the ACS and matching financial support from the Research Triangle Institute. Abstract “Many of us nowadays invest significant amounts of time in sharing our activities and […]

Why Have I Pushed so Much Traffic To Twitter This Weekend? GAMING or SAVVY?   Leave a comment

Next Tuesday, November 29th, I am leading a two hour workshop as described here: “The NC-ACS together with RTI International is excited to provide dinner and a workshop titled “Building an Online Profile Using Social Networking and Amplification Tools for Scientists”! DATE AND TIME: Tue, November 29, 2016, 6:00 PM – 9:00 PM EST LOCATION: The Frontier, 800 Park […]

Social Media Tools for Scientists and Building an Online Profile   Leave a comment

This presentation will be given at the Janelia Farm Research Campus, a research campus of the Howard Hughes Medical Institute. The presentation abstract is below. ABSTRACT Despite the availability of many platforms for scientists to connect and share with their peers in the scientific community the majority do not make use of these tools, despite […]

My NC-ACS Distinguished Speaker Award Presentation   Leave a comment

Last night I was honored to receive an award from the North Carolina Local Section of the American Chemical Society. I had the chance to review the past 20 years of my career with the attendees. I assembled a slide deck from about ten years of slides stored on Slideshare (I am glad I have been […]

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 […]

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