Introduction

ChemSpider is a web-based database of chemical data and links to related articles and patents. The range of data stored in ChemSpider includes chemical structures, identifiers (IUPAC/common/trade names, synonyms, SMILES, InChIs), properties (experimental and predicted), spectral, crystallographic, and images. The ChemSpider website is freely available resource developed for the scientific community  which allows users to search, deposit and curate data. The data in ChemSpider has been supplied by various institutions and commercial companies.

Data in ChemSpider is curated on an ongoing basis by ChemSpider staff and users to ensure data integrity and data quality. ChemSpider has a wide user base which includes students, teachers, lecturers, scientists (chemists, biochemists, material, forensic, quality control, analysts), patent agents, publishers and chemical manufacturers.

If you want to know more why not watch our Introduction to ChemSpider video?

What can I do with ChemSpider?

Search by chemical names

  • Systematic names
  • Synonyms
  • Trade names
  • Identifiers (molecular formulas, SMILES,
    InChIs, registry numbers)

Search by chemical structure

  • Create structure-based queries
  • Draw structures in the web page
  • Use structure files from your computer
  • Substructure searching
  • Similarity searching

Find important data

  • Literature references
  • Physical properties
  • Interactive spectra
  • Chemical suppliers

Predict Chemical Properties

  • Log P
  • Log D
  • Polar Surface Area
  • Surface Tension
  • Refractive Index

Deposit Data

  • Chemical structures
  • Chemical properties
  • Spectra (NMR, IR, Raman, Mass Spectra, UV-Vis)
  • Crystallographic Information Files

Curate Data

  • Add names/identifiers
  • Correct Name-Structure associations
  • Add literature references

One of the key features of ChemSpider is that the data is updated and curated on an ongoing basis by the users. This ensures that the data remains relevant and can be shared with the rest of the scientific community.

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