Archive for the ‘CINF’ Category

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 […]

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 […]

Encouraging students to start publishing early in their career #ACSsanfran   Leave a comment

My second talk of three on August 11th 2014 at the ACS Meeting in San Francisco. Encouraging students to start publishing early in their career Many students spend enormous amounts of their time engaged with their computers, accepting of course that mobile devices are simply computers of a different form factor. Engaged with the social […]

Data enhancing the Royal Society of Chemistry publication archive   Leave a comment

This is a presentation I gave at the ACS Dallas meeting on March 19th 2014 Data enhancing the Royal Society of Chemistry publication archive The Royal Society of Chemistry has an archive of hundreds of thousands of published articles containing various types of chemistry related data – compounds, reactions, property data, spectral data etc. RSC […]

The UK National Chemical Database Service as an integration of commercial and public chemistry services to support chemists in the United Kingdom   Leave a comment

This is a presentation I gave at the ACS National Meeting in Dallas on Wednesday 19th March 2014 The UK National Chemical Database Service – an integration of commercial and public chemistry services to support chemists in the United Kingdom At a time when the data explosion has simply been redefined as “Big”, the hurdles […]

Royal Society of Chemistry Activities to Develop a Data Repository for Chemistry-Specific Data   Leave a comment

This is a presentation I have at the ACS Meeting in Dallas, Texas on March 17th 2014 Royal Society of Chemistry Activities to Develop a Data Repository for Chemistry-Specific Data  In recent years the Royal Society of Chemistry has become known for our development of freely accessible data platforms including ChemSpider, ChemSpider Reactions and our […]

Ontology work at the Royal Society of Chemistry #ACSDallas   Leave a comment

This is a presentation at I gave at the ACS Spring meeting in Dallas, Texas on March 17th 2014 Ontology work at the Royal Society of Chemistry We provide an overview of the use we make of ontologies at the Royal Society of Chemistry.  Our engagement with the ontology community began in 2006 with preparations […]

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