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Reaction databases are designed
to store chemical reactions and related data. A reaction
is characterized by a set of reactants, products and experimental
condition, such as temperature, pressure and solvent.
The proper handling of this complex information requires
a specific database scheme and an add-on application to
register and retrieve reactions.
Reaction databases are commonly used in the area of synthetic
chemistry or for the storage of biochemical reactions.
These databases can be extended to record metabolic pathways. |
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Archiving and
Retrieving Reactions |
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 C@ROL
is a versatile molecule-oriented data warehousing system
for the storage of chemical reactions, 2D structures,
and multiple 3D conformations of chemical compounds. C@ROL
is a client-server application that includes a powerful
structure search engine for the retrieval of chemical
reactions and their related data. This engine can perform
reaction searches, structure and sub-structure searches, similarity
searches and precursor searches. For more details follow
the link . |
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