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Computational Chemistry/Data bases and modelling
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This is a stub entry for databases
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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