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Spectral Database for Organic Compounds National Institute of Advanced Industrial Science and Technology (AIST), Japan Organic compounds Spectra:IR Raman MASS ESR 1 H NMR 13 C NMR SDBS No curated "SDBS". 34,000 Serum Metabolome Database: The Metabolomics Innovation Centre: found in blood serum "Serum Metabolome DB". 4,651 Solvent Selection Tool
Download QR code; Print/export Download as PDF; Printable version; In other projects ... Spectral Database for Organic Compounds; SPRESI database; T.
NCI Database Compound, substance, and bioactivity data, advanced search panel; NIST Chemistry WebBook Compound data and spectra; Chemical catalogue Compounds search engine; Chemfinder Compound data (cookie-based accession limit) SDBS Spectra (UV/Vis, IR, NMR) Bordwell pKa Table pK a values in DMSO; Organic Synthesis Selected and commented reactions
ChemSpider served as the chemical compound repository as part of the Open PHACTS project, an Innovative Medicines Initiative. Open PHACTS developed to open standards, with an open access, semantic web approach to address bottlenecks in small molecule drug discovery - disparate information sources, lack of standards and information overload.
The Beilstein database is a database in the field of organic chemistry, in which compounds are uniquely identified by their Beilstein Registry Number.The database covers the scientific literature from 1771 to the present and contains experimentally validated information on millions of chemical reactions and substances from original scientific publications.
For example, a chemical database might store a molecule with stereochemistry unspecified, whereas a chemical registry system requires the registrar to specify whether the stereo configuration is unknown, a specific (known) mixture, or racemic. Each of these would be considered a different record in a chemical registry system.
If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]
The main academic full-text databases are open archives or link-resolution services, although others operate under different models such as mirroring or hybrid publishers. . Such services typically provide access to full text and full-text search, but also metadata about items for which no full text is availa