Marrying ACDLabs technologies to eScience Projects at the Royal Society of Chemistry
by Antony Williams, ChemConnector on Jun 21, 2013
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The Royal Society of Chemistry is one of the worlds foremost scientific societies, a primary publisher for the chemical sciences and an innovator in the domain of eScience. In order to deliver on a ...
The Royal Society of Chemistry is one of the worlds foremost scientific societies, a primary publisher for the chemical sciences and an innovator in the domain of eScience. In order to deliver on a number of our eScience projects we utilize a number of components of Advanced Chemistry Development software including nomenclature, physchem prediction, spectroscopy tools and the ACD/Ilab web-based system. This presentation will provide an overview of a number of RSC projects where ACS/Labs software has played an important role in the delivery of the systems including ChemSpider and the National Chemical Database Service for the United Kingdom. We will also provide an overview of our vision to deliver a repository for various types of experimental chemistry data and how we foresee utilizing various prediction and validation software approaches to characterize the data as well as the potential to generate predictive models from the data. This couples directly with our intention to data enable our publication archive of over 300,000 articles extracting chemicals, reactions and analytical data from the historical records.
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