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DB is to
support medicinal chemistry and drug
discovery via
literature awareness and
development of structure-activity
relations (SAR and
QSAR); validation...
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predicted structure based properties Fragment-based lead
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Chemistry WebBook NMMLSC NMRShift
DB PANACHE PCMD PDSP
Peptides Prous Science Drugs of the ****ure
QSAR R&D
Chemicals San
Diego Center for Chemical...
-
inferred from
similar combinations of physico-chemical
descriptors using QSAR methods.
Databases systems for
maintaining unique records on
chemical compounds...
-
electrostatic or
hydrophobic fields. Quantitative-structure
activity relationship (
QSAR)
models consist of
predictive models based on
information extracted from...
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Durdagi S,
Mavromoustakos T,
Papdopoulos MG (2008). "3D
QSAR CoMFA/CoMSIA,
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target or
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additional databases, HMDB, T3DB,
SMPDB and Foo
DB are also part of a
general suite of metabolomic/cheminformatic databases....
