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  2. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    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

  3. Chemical database - Wikipedia

    en.wikipedia.org/wiki/Chemical_database

    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.

  4. PubChem - Wikipedia

    en.wikipedia.org/wiki/PubChem

    PubChem is a database of chemical molecules and their activities against biological assays.The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH).

  5. ChemSpider - Wikipedia

    en.wikipedia.org/wiki/ChemSpider

    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.

  6. Cambridge Structural Database - Wikipedia

    en.wikipedia.org/wiki/Cambridge_Structural_Database

    3D printed model of 1-methyl-2,3,4,5-tetrakis((trimethylsilyl)ethynyl)-1H-pyrrole structure. CSD Identifier: XURZAN. Each data set in CSD can be openly viewed and retrieved using the free Access Structure service. Through this web-browser based service, users can view the data set in 2D and 3D, obtain some basic information about the structure ...

  7. List of academic databases and search engines - Wikipedia

    en.wikipedia.org/wiki/List_of_academic_databases...

    Users need to account for qualities and limitations of databases and search engines, especially those searching systematically for records such as in systematic reviews or meta-analyses. [2] As the distinction between a database and a search engine is unclear for these complex document retrieval systems , see:

  8. Chemical Abstracts Service - Wikipedia

    en.wikipedia.org/wiki/Chemical_Abstracts_Service

    [2] [3] The sequence information comes from CAS and GenBank, produced by the National Institutes of Health. The chemical information is produced by CAS, and is prepared by the CAS Registry System, which identifies each compound with a specific CAS registry number , index name, and graphic representation of its chemical structure.

  9. Spectral Database for Organic Compounds - Wikipedia

    en.wikipedia.org/wiki/Spectral_Database_for...

    Spectra were acquired using a pulse flip angle of 22.5 – 45 degrees and a pulse repetition time of 4 – 7 seconds. [4] Samples were prepared by dissolution in CDCl 3, D 2 O, or DMSO-d 6. [5] Each spectrum is accompanied by a list of the observed peaks with their respective chemical shifts in ppm and their intensities.

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