It has been a busy few months for us this year and this will be represented at the ACS meeting in San Francisco where our team will be connected to over 20 presentations at this Fall Meeting. We have been working hard on a number of grant-based projects and specifically working on the development of the RSC Data Repository. The lists below are the papers that I will be presenting as well as others that members of the cheminformatics team will be involved with.
Papers that I will be presenting:
- PAPER ID: 24594
PAPER TITLE: “Applying Royal Society of Chemistry cheminformatics skills to support the PharmaSEA project” (final paper number: 1)
DAY & TIME OF PRESENTATION: August 10, 2014 from 9:45 am to 10:15 am
LOCATION: Palace Hotel, Room: Marina - PAPER ID: 18831
PAPER TITLE: “How the InChI identifier is used to underpin our online chemistry databases at the Royal Society of Chemistry” (final paper number: 32)
DAY & TIME OF PRESENTATION: August 10, 2014 from 2:00 pm to 2:35 pm
LOCATION: Palace Hotel, Room: California Parlor - PAPER ID: 20185
PAPER TITLE: “Dealing with the complex challenge of managing diverse chemistry data online” (final paper number: 46)
DAY & TIME OF PRESENTATION: August 11, 2014 from 9:40 am to 10:10 am
LOCATION: Palace Hotel, Room: Marina - PAPER ID: 24677
PAPER TITLE: “Encouraging undergraduate students to participate as authors of scientific publications” (final paper number: 184)
DAY & TIME OF PRESENTATION: August 11, 2014 from 2:00 pm to 2:25 pm
LOCATION: Moscone Center, North Bldg., Room: 123 - PAPER ID: 24417
PAPER TITLE: “Teaching analytical spectroscopy using online spectroscopic data” (final paper number: 104)
DAY & TIME OF PRESENTATION: August 11, 2014 from 4:30 pm to 4:50 pm
LOCATION: Moscone Center, North Bldg., Room: 111 - PAPER ID: 25726
PAPER TITLE: “Who knew I would get here from there: How I became the ChemConnector” (final paper number: 103)
DAY & TIME OF PRESENTATION: August 13, 2014 from 9:55 am to 10:20 am
LOCATION: Palace Hotel, Room: Presidio - PAPER ID: 24536
PAPER TITLE: “Open innovation and chemistry data management contributions from the Royal Society of Chemistry resulting from the Open PHACTS project” (final paper number: 137)
DAY & TIME OF PRESENTATION: August 14, 2014 from 10:15 am to 10:35 am
LOCATION: Palace Hotel, Room: Presidio - PAPER ID: 24515
PAPER TITLE: “Using an online database of chemical compounds for the purpose of structure identification” (final paper number: 354)
DAY & TIME OF PRESENTATION: August 14, 2014 from 11:30 am to 11:50 am
LOCATION: Moscone Center, North Bldg. , Room: 125 - PAPER ID: 25640
PAPER TITLE: “The Royal Society of Chemistry and its adoption of semantic web technologies for chemistry at the epoch of a federated world” (final paper number: 144)
DAY & TIME OF PRESENTATION: August 14, 2014 from 1:50 pm to 2:10 pm
LOCATION: Palace Hotel, Room: Marina
Other presentations that the Cheminformatics team is involved with, but for which I do not yet have times and room numbers, are as follows (the bolded name indicates the presenter):
- Accessing 3D printable chemical structures online. V. F. Scalfani, A. J. Williams, R. M. Hanson, J. E. Bara, A. Day, V. Tkachenko
- Using the BRAIN, biorelations and intelligence network, for knowledge discovery. A. Mons, B. Mons, A. Krol, A.Baak, A. Williams, V. Tkachenko
- 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
- Integrating Jmol/JSpecView into the Eureka Research Workbench. S. Chalk, M. Morse, I. Hurst, A. Williams, V.Tkachenko, A. Pshenichnov, R. Hanson
- 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
- Experiences and adventures with noSQL and its applications to cheminformatics data. V. Tkachenko, A. Williams, K. Karapetyan, A. Pshenichnov, M. Rybalkin
- Building an online data repository for 100,000 dyes. D. Hinks, V. Tkachenko, A.J. Williams
- Faculty profiling and searching in the Eureka Research Workbench using VIVO and ScientistsDB. S. Chalk, M.Morse, I. Hurst, A. Williams, V. Tkachenko, A. Pshenichnov
- Semantic enrichment of ChemSpider data: Usage and applications. V. Tkachenko and A.J. Williams
- Supporting the exploding dimensions of the chemical sciences via global networking. V. Tkachenko, A. Williams, S. Vatsadze
- Toward extracting analytical science metrics from the RSC archives. S. Chalk, A. Williams, V. Tkachenko, C.Batchelor
- 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
- 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
- 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
One Response to Participation of the RSC Cheminformatics Team in Presentations at the ACS San Francisco Meeting