If any readers will be attending the ENC conference in Daytona Beach next month I hope you will stop by and visit the two posters I will be presenting. The poster details are given below.

The Spectral Game – Teaching NMR Spectroscopy Via a Web Browser
Antony Williams1; Jean-Claude Bradley2; Robert Lancashire3; Andrew Lang4

We report on the implementation of the Spectral Game, a web-based game where players try to match molecules to various forms of interactive spectra including 1D/2D NMR. Each correct selection earns the player one point and play continues until the player supplies an incorrect answer. The game is played using a web browser interface using spectra from the ChemSpider database (www.chemspider.com) for the problem sets together with structures extracted from the website. Spectra are displayed using JSpecView, an Open Source spectrum viewing applet which affords zooming and integration of JCAMP spectra. Players of the game provide both active and passive feedback regarding the quality of the spectral data resulting in crowd sourced curation and validation of the data.

ChemSpider – Building an Online Database of Open Spectra
Antony Williams; Valery Tkachenko

ChemSpider is an online database of over 20 million chemical compounds sourced from over 300 different sources including government laboratories, chemical vendors, public resources and publications. Developed with the intention of building community for chemists ChemSpider allows its users to deposit data including structures, properties, links to external resources and various forms of spectral data. Over the past three years ChemSpider has aggregated almost 3000 high quality NMR spectra and continues to expand as the community deposits additional data. The majority of spectral data is licensed as Open Data allowing it to be downloaded and reused in presentations, lesson plans and for teaching purposes.

Stumble it!

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