Archive for the ‘Division of Chemical Information’ Category

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 […]

The EPA iCSS Chemistry Dashboard to Support Compound Identification Using High Resolution Mass Spectrometry Data   Leave a comment

Presentation given at ACS Meeting in Philadelphia in August 2016 The EPA iCSS Chemistry Dashboard to Support Compound Identification Using High Resolution Mass Spectrometry Data There is a growing need for rapid chemical screening and prioritization to inform regulatory decision-making on thousands of chemicals in the environment. We have previously used high-resolution mass spectrometry to […]

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 […]

Our dire need to mandate data standards and expectations for scientific publishing   Leave a comment

This is a presentation that I delivered at the ACS Division of Chemical Information meeting regarding “Reproducibility, Reporting, Sharing & Plagiarism” at ACS Denver on 23rd March 2015. I took the opportunity to remove my hat that has me be the VP of Strategic Development at RSC, and a member of the cheminformatics group that […]

Using an online database of chemical compounds for the purpose of structure identification #ACSsanfran   Leave a comment

Using an online database of chemical compounds for the purpose of structure identification Online databases can be used for the purposes of structure identification. The Royal Society of Chemistry provides access to an online database containing tens of millions of compounds and this has been shown to be a very effective platform for the development […]

Open innovation and chemistry data management contributions from the Royal Society of Chemistry resulting from the Open PHACTS project at #ACSsanfran   Leave a comment

This is my presentation on Thursday 14th August at the ACS Meeting in San Francisco Open innovation and chemistry data management contributions from the Royal Society of Chemistry resulting from the Open PHACTS project The Royal Society of Chemistry was pleased to contribute to the Open PHACTS project, a 3 year project funded by the […]

Accessing 3D Printable Chemical Structures Online at #ACSsanfran   Leave a comment

This presentation was given by Vincent Scalfani and covers the work we have done to provide access to 3D printable chemical structures online… Accessing 3D Printable Chemical Structures Online We have been exploring routes to create 3D printable chemical structure files (.WRL and .STL). These digital 3D files can be generated directly from crystallographic information […]

Dealing with the Complex Challenge of Managing Diverse Chemistry Data Online to Enable Chemistry Across the World #ACSsanfran   Leave a comment

This is my third presentation today at the ACS meeting in San Francisco on 11th August 2014 Dealing with the Complex Challenge of Managing Diverse Chemistry Data Online to Enable Chemistry Across the World The Royal Society of Chemistry has provided access to data associated with millions of chemical compounds via our ChemSpider database for […]

Teaching analytical spectroscopy using online spectroscopic data #ACSsanfran   1 comment

My first talk of three on August 11th 2014 at the ACS San Francisco meeting Teaching analytical spectroscopy using online spectroscopic data The teaching of spectroscopy can be a complex and challenging task. The Royal Society of Chemistry has been developing online resources for a number of years that provide access to analytical data as […]

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