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September 2013. Tetko, Igor V; m. Lowe, Daniel; Williams, Antony...
- Binding
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
discovery QSAR Lipinski CA,
Lombardo F,
Dominy BW,
Feeney PJ (January 1997). "Experimental...
-
implementation of this method. Quantitative-Structure
Activity Relationship (
QSAR)
models consist of
predictive models based on
information extracted from...
- NIST NIST
Chemistry WebBook NMMLSC NMRShift
DB PANACHE PCMD PDSP
Peptides Prous Science Drugs of the ****ure
QSAR R&D
Chemicals San
Diego Center for Chemical...
- the
Marvin software. Com****tional
chemistry Chemical database Drug
design QSAR Data
mining Molecule editor Bunin,
Barry A.; Siesel, Brian; Morales, Guillermo;...
- 12th edn.
Pharmaceutical press Hansch C, Leo A,
Hoekman D. 1995.
Exploring QSAR.Hydrophobic,
electronic and
steric constants. Washington, DC:
American Chemical...
- structure–property
relationship (QSPR) and
quantitative structure–activity
relationship (
QSAR)). Com****tional
approaches to help in the
efficient synthesis of compounds...
-
inferred from
similar combinations of physico-chemical
descriptors using QSAR methods.
Databases systems for
maintaining unique records on
chemical compounds...
-
target or
protein data. Four
additional databases, HMDB, T3DB,
SMPDB and Foo
DB are also part of a
general suite of metabolomic/cheminformatic databases....
