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Vendors and other sources of chemical information.
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Individual records available from sources. These may
not be individual chemicals, but rather a mixture of chemicals
available as a unit.
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Resolution table between sources and chemical mixes.
This accounts for multiple sources providing the same
chemical mixtures, without storing redundant data.
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High-level chemical annotations that the sources
provide, likely extracted from SD Tags of the SDF molecule
files the source data came from. These are the secondary
annotations which vary depending on the source.
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Individual chemical components of chemical
mixes that cannot be further resolved into components.
These include the derived primary annotations which are pre-computed
and stored in the database to facilitate future searches and
computations.
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Similar to Source2ChemicalMix, resolution
table between ChemicalMix and Chemical, to avoid
storage of redundant Chemical information.
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Stereochemistry specific chemical representations with
predicted 3D structural information / atom coordinates.
Multiple 3D conformation records may exist here for any
single record in the Chemical table, one for every
possible isomeric configuration the chemical can exist in.
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