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  2. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    Library of Integrated Network-based Cellular Signatures small molecules PubChem ChEMBL SMILES InChI LSM "LINCS". 43,700 LipidBank Japanese Conference on the Biochemistry of Lipids lipids "LipidBank". 7,009 LMSD LIPID MAPS Structure Database Lipids HMDB ChEBI PubChem InChI LMFA "LMSD". 44701 LOLI: List of Lists safety data sheets, regulation ...

  3. List of mass spectrometry software - Wikipedia

    en.wikipedia.org/wiki/List_of_mass_spectrometry...

    AnalyzerPro is a vendor-independent software application from SpectralWorks for processing mass spectrometry data. It can process both GC-MS and LC-MS data using qualitative and quantitative data processing and is used in metabolomics with MatrixAnalyzer for the comparison of multiple data sets.

  4. Gas chromatography–mass spectrometry - Wikipedia

    en.wikipedia.org/wiki/Gas_chromatography–mass...

    GC–MS is used for the analysis of unknown organic compound mixtures. One critical use of this technology is the use of GC–MS to determine the composition of bio-oils processed from raw biomass. [29] GC–MS is also utilized in the identification of continuous phase component in a smart material, magnetorheological (MR) fluid. [30]

  5. Group-contribution method - Wikipedia

    en.wikipedia.org/wiki/Group-contribution_method

    The simplest form of a group-contribution method is the determination of a component property by summing up the group contributions : [] = +.This simple form assumes that the property (normal boiling point in the example) is strictly linearly dependent on the number of groups, and additionally no interaction between groups and molecules are assumed.

  6. Thermodynamic databases for pure substances - Wikipedia

    en.wikipedia.org/wiki/Thermodynamic_databases...

    NIST WebBook A gateway to the data collection of the National Institute of Standards and Technology. NASA Glenn ThermoBuild A web interface to generate tabulated thermodynamic data. Burcat's Thermodynamic Database Database for more than 3,000 chemical species. DIPPR The Design Institute for Physical Properties

  7. Commercial National Security Algorithm Suite - Wikipedia

    en.wikipedia.org/wiki/Commercial_National...

    Elliptic Curve Diffie-Hellman (ECDH) Key Exchange Asymmetric algorithm for key establishment NIST SP 800-56A: Use Curve P-384 for all classification levels. Elliptic Curve Digital Signature Algorithm (ECDSA) Asymmetric algorithm for digital signatures FIPS PUB 186-4: Use Curve P-384 for all classification levels. Secure Hash Algorithm (SHA)

  8. Crystallographic database - Wikipedia

    en.wikipedia.org/wiki/Crystallographic_database

    Crystallographic data are primarily extracted from published scientific articles and supplementary material. Newer versions of crystallographic databases are built on the relational database model, which enables efficient cross-referencing of tables.

  9. Pyrolysis GC/MS chromatogram of mahogany wood analyzed with OpenChrom. Pyrolysis–gas chromatography–mass spectrometry is a method of chemical analysis in which the sample is heated to decomposition to produce smaller molecules that are separated by gas chromatography and detected using mass spectrometry. [1] [2]