Archive for the ‘Data Quality’ Category

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 […]

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 – […]

BIA-10-2474, confusions in chemical structure and the need for EARLY clarity in chemical structures   2 comments

My blog has been fairly inactive for the past few months, driven primarily by my move from working on cheminformatics at the Royal Society of Chemistry to working at the National Center for Computational Toxicology at the Environmental Protection Agency. While I stopped working on ChemSpider about 18 months before I left RSC (to focus […]

Posted January 24, 2016 by tony in Chemicals and our Health, Community Building, Data Quality

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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 […]

Providing Access to a Million NMR Spectra via the web   Leave a comment

This presentation was given at the ACS Denver meeting on March 22nd 2015 in a CHED Division symposium Providing Access to a Million NMR Spectra via the web Antony Williams, Alexey Pshenichnov, Peter Corbett, Daniel Lowe, Carlos Coba Access to large scale NMR collections of spectral data can be used for a number of purposes […]

PITTCON poster: Dealing with the complex challenge of managing diverse analytical chemistry data online   Leave a comment

This is a talk I presented at Pittcon on Wednesday March 13th, 2015 Dealing with the complex challenge of managing diverse analytical chemistry data online The Royal Society of Chemistry provides open access to data associated with tens of millions of chemical compounds. The richness and complexity of the data has continued to expand dramatically […]

PITTCON Poster: Using an online database of chemical compounds for the purpose of structure identification   Leave a comment

This is a poster I presented at Pittcon on Wednesday March 9th, 2015 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 […]

A TERRIBLE implementation of Name Searching on ACS Journals   Leave a comment

Yes, I am a Williams. And THAT is an incredibly common surname. But I am an Antony Williams, notice no H in the name, i.e. NOT Anthony. In the field of chemistry there are not many of us around…a couple I know of, but not many overall. Google Scholar does an extremely good job of […]

A chemistry data repository to serve them all   Leave a comment

A presentation that I am giving around UK universities in September/October 2014 A chemistry data repository to serve them all Over the past five years the Royal Society of Chemistry has become world renowned for its public domain compound database that integrates chemical structures with online resources and available data. ChemSpider regularly serves over 50,000 […]

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 […]

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