Computational Chemistry/Data bases and modelling

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This is a stub entry for databases[edit]

Examples of chemical databases are: CSD (the Cambridge Structural Database), ICSD (Inorganic Crystal Structure Data files), PDB (the Brookhaven Protein Data Bank), ELYS (Electrolyte Solutions Database), SPECINFO (IR and NMR Spectroscopy) and ACDRX (Fine Chemicals).

There are extensive organic synthesis data bases such as Comprehensive Heterocyclic Chemistry, Theilheimer Database, Chiras (Asymmetric Synthesis and SPG protecting group database.

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