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Presentations given at the ACS Meeting in San Francisco #ACSsanfran

19 Aug

Recently returned from the ACS meeting in San Francisco it was a busy and very successful conference. We presented to a number of different divisions on a lot of our activities and many of our collaborators presented also. The list of talks is below and as more links become available I will update this page. What I learned is that we need to present in MANY other divisions other than CINF…the attendees of the CHED and ANLY divisions for sure were interested in what we have to say. We will do more of this…

Applying Royal Society of Chemistry cheminformatics skills to support the PharmaSEA project, A.J. Williams. A. Pshenichnov, V. Tkachenko, K. Karapetyan and D. Sharpe, ACS Fall Meeting, San Francisco, August 2014 Link

How the InChI identifier is used to underpin our online chemistry databases at the Royal Society of Chemistry, A.J. Williams, V. Tkachenko and K. Karapetyan, ACS Fall Meeting, San Francisco, August 2014 (Invited Talk) Link

Dealing with the complex challenge of managing diverse chemistry data online, A.J. Williams, A. Pshenichnov, V. Tkachenko and K. Karapetyan, ACS Fall Meeting, San Francisco, August 2014 Link

Encouraging undergraduate students to participate as authors of scientific publications, A.J. Williams, ACS Fall Meeting, San Francisco, August 2014 Link

Who knew I would get here from there: How I became the ChemConnector, A.J. Williams, ACS Fall Meeting, San Francisco, August 2014 (Invited Talk) Link

Open innovation and chemistry data management contributions from the Royal Society of Chemistry resulting from the Open PHACTS project, A.J. Williams. A. Pshenichnov, J. Steele, C. Batchelor, V. Tkachenko, K. Karapetyan and V. Tkachenko, ACS Fall Meeting, San Francisco, August 2014 Link

Using an online database of chemical compounds for the purpose of structure identification, A.J. Williams, A. Pshenichnov and V. Tkachenko, ACS Fall Meeting, San Francisco, August 2014

The Royal Society of Chemistry and its adoption of semantic web technologies for chemistry at the epoch of a federated world, A.J. Williams and V. Tkachenko, ACS Fall Meeting, San Francisco, August 2014 Link

Accessing 3D printable chemical structures online. V. F. Scalfani, A. J. Williams, R. M. Hanson, J. E. Bara, A. Day, V. Tkachenko, ACS Fall Meeting, San Francisco, August 2014 Link

Using the BRAIN, biorelations and intelligence network, for knowledge discovery. A. Mons, B. Mons, A. Krol, A.Baak, A.J. Williams, V. Tkachenko, ACS Fall Meeting, San Francisco, August 2014

Navigating chemistry requirements for data management and electronic notebooks: A case study. L. R. McEwen, A. J. Williams, V. Tkachenko, J. G. Frey, S. J. Coles, A. E. Day, C. Willoughby, W. R. Dichtel, ACS Fall Meeting, San Francisco, August 2014

The Chemical Analysis Metadata Platform (ChAMP): Thoughts and Ideas on the Semantic Identification of Analytical Metrics, S. Chalk,  A.J. Williams, V.Tkachenko San Francisco, August 2014 Link

Integrating Jmol/JSpecView into the Eureka Research Workbench. S. Chalk, M. Morse, I. Hurst, A.J. Williams, V.Tkachenko, A. Pshenichnov, R. Hanson, ACS Fall Meeting, San Francisco, August 2014

Clustering the Royal Society of Chemistry chemical repository to enable enhanced navigation across millions of chemicals. K. Karapetyan, V. Tkachenko, A. J. Williams, O. Kohlbacher, P. Thiel, ACS Fall Meeting, San Francisco, August 2014 Link

Experiences and adventures with noSQL and its applications to cheminformatics data. V. Tkachenko, A.J. Williams, K. Karapetyan, A. Pshenichnov, M. Rybalkin, ACS Fall Meeting, San Francisco, August 2014 Link

Faculty profiling and searching in the Eureka Research Workbench using VIVO and ScientistsDB. S. Chalk, M.Morse, I. Hurst, A.J. Williams, V. Tkachenko, A. Pshenichnov, ACS Fall Meeting, San Francisco, August 2014

Supporting the exploding dimensions of the chemical sciences via global networking. V. Tkachenko, A.J. Williams, S. Vatsadze, ACS Fall Meeting, San Francisco, August 2014 Link

Toward extracting analytical science metrics from the RSC archives. S. Chalk, A.J. Williams, V. Tkachenko, C.Batchelor, ACS Fall Meeting, San Francisco, August 2014

Dereplication applications for computer-assisted structure elucidation (CASE) and the ChemSpider database. P.Wheeler, A. Moser, J. DiMartio, M. Elyashberg, K. Blinov, S. Molodstov, A.J. Williams, ACS Fall Meeting, San Francisco, August 2014 (Invited  talk)

Real structures for real natural products − really getting them right and getting them faster. P. Wheeler, A.J. Williams, M. Elyashberg, R. Pol, A. Moser, ACS Fall Meeting, San Francisco, August 2014

The increasing importance of chemical information literacy in the life of graduate students: Contributions from the ACS Division of Chemical Information (CINF, G. Baysinger, J. Currano, J. Garritano, L. R McEwen, A. J Williams

 

About tony

Antony (Tony) J. Williams received his BSc in 1985 from the University of Liverpool (UK) and PhD in 1988 from the University of London (UK). His PhD research interests were in studying the effects of high pressure on molecular motions within lubricant related systems using Nuclear Magnetic Resonance. He moved to Ottawa, Canada to work for the National Research Council performing fundamental research on the electron paramagnetic resonance of radicals trapped in single crystals. Following his postdoctoral position he became the NMR Facility Manager for Ottawa University. Tony joined the Eastman Kodak Company in Rochester, New York as their NMR Technology Leader. He led the laboratory to develop quality control across multiple spectroscopy labs and helped establish walk-up laboratories providing NMR, LC-MS and other forms of spectroscopy to hundreds of chemists across multiple sites. This included the delivery of spectroscopic data to the desktop, automated processing and his initial interests in computer-assisted structure elucidation (CASE) systems. He also worked with a team to develop the worlds’ first web-based LIMS system, WIMS, capable of allowing chemical structure searching and spectral display. With his developing cheminformatic skills and passion for data management he left corporate America to join a small start-up company working out of Toronto, Canada. He joined ACD/Labs as their NMR Product Manager and various roles, including Chief Science Officer, during his 10 years with the company. His responsibilities included managing over 50 products at one time prior to developing a product management team, managing sales, marketing, technical support and technical services. ACD/Labs was one of Canada’s Fast 50 Tech Companies, and Forbes Fast 500 companies in 2001. His primary passions during his tenure with ACD/Labs was the continued adoption of web-based technologies and developing automated structure verification and elucidation platforms. While at ACD/Labs he suggested the possibility of developing a public resource for chemists attempting to integrate internet available chemical data. He finally pursued this vision with some close friends as a hobby project in the evenings and the result was the ChemSpider database (www.chemspider.com). Even while running out of a basement on hand built servers the website developed a large community following that eventually culminated in the acquisition of the website by the Royal Society of Chemistry (RSC) based in Cambridge, United Kingdom. Tony joined the organization, together with some of the other ChemSpider team, and became their Vice President of Strategic Development. At RSC he continued to develop cheminformatics tools, specifically ChemSpider, and was the technical lead for the chemistry aspects of the Open PHACTS project (http://www.openphacts.org), a project focused on the delivery of open data, open source and open systems to support the pharmaceutical sciences. He was also the technical lead for the UK National Chemical Database Service (http://cds.rsc.org/) and the RSC lead for the PharmaSea project (http://www.pharma-sea.eu/) attempting to identify novel natural products from the ocean. He left RSC in 2015 to become a Computational Chemist in the National Center of Computational Toxicology at the Environmental Protection Agency where he is bringing his skills to bear working with a team on the delivery of a new software architecture for the management and delivery of data, algorithms and visualization tools. The “Chemistry Dashboard” was released on April 1st, no fooling, at https://comptox.epa.gov, and provides access to over 700,000 chemicals, experimental and predicted properties and a developing link network to support the environmental sciences. Tony remains passionate about computer-assisted structure elucidation and verification approaches and continues to publish in this area. He is also passionate about teaching scientists to benefit from the developing array of social networking tools for scientists and is known as the ChemConnector on the networks. Over the years he has had adjunct roles at a number of institutions and presently enjoys working with scientists at both UNC Chapel Hill and NC State University. He is widely published with over 200 papers and book chapters and was the recipient of the Jim Gray Award for eScience in 2012. In 2016 he was awarded the North Carolina ACS Distinguished Speaker Award.

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