Navigating the Complex Web of Chemistry Using ChemSpider
The internet has revolutionized the sharing of data and information and in the domain of chemistry there are many resources available to help with our research. In recent years various online resources have been introduced that allow users to access information, properties and data associated with chemical entities. At a time when CAS has declared that they now have over 50 million unique chemical entities in the registry the number of chemical structures distributed across the internet also measures in the tens of millions. There are many tens of databases on the internet hosting chemical structures associated with data focused on the specific nature of the collection – metabolic pathways, spectral data collections, chemical vendor collections, biological assay data and crystal structures are examples. Unfortunately there has been no single way to search across all of these resources. ChemSpider has taken on the task of integrating the multiple online resources of information into a single database using the chemical structure as the primary key and retaining the link out and attribution to the original datasource. In this manner ChemSpider intends to become a structure-centric hub for the chemistry community. This talk will provide an overview of the ChemSpider platform, how it is being used as a crowdsourcing platform for community-based curation of the data and the future vision of ChemSpider as one of the pillars of the semantic web of chemistry.
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Navigating the Complex Web of Chemistry Using ChemSpider
- 1. Navigating the Complex Web of Chemistry Using ChemSpider
- 3. It’s Coming…Linked Data Cloud
- 5. Org Prep Daily (Blog)
- 6. Molbank (Open Access Journal)
- 18. Linked across the internet
- 19. Kyoto Encyclopedia of Genes and Genomes
- 21. Links to Patents based on structure
- 22. Clickthrough to Patent (SureChem)
- 25. Complex Data and Information
- 27. What is a compound?
- 28. Question Everything online: www.dhmo.org
- 29. PubChem
- 32. Vancomycin on ChemSpider 1 compound – 3 days
- 33. The EXPERTS must get it right?!
- 39. CAS as an authority
- 40. The Blogging Community Participate
- 43. Structures on DailyMed
- 45. Incorrect Structures
- 46. Wow!
- 48. Drugbank
- 49. Taxol on PubChem
- 50. FDA’s DailyMed
- 52. Multiple Layers
- 53. InChIStrings Hash to InChIKeys
- 54. InChIs for Taxol
- 57. Does one stereocenter matter?
- 60. Building a Structure Centric Community for Chemists
- 74. Nature Chemistry Compound Pages
- 75. Project Prospect
- 82. Manual Curation is Necessary
- 85. Species – linked to Wikipedia
- 90. Online Journals and Live Data
- 92. ChemSpider Everywhere : Embed
- 93. ChemSpider Everywhere: Spectral Game
- 94. ChemSpider Everywhere : ChemMobi
- 95. Not in a basement now...
- 99. Thank you [email_address] Twitter: ChemSpiderman www.chemspider.com/blog