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Demo:
Depiction
Reactions
Toxtree
API
SMILES or InChI
Reaction (SMIRKS)
Example reactions
Aliphatic hydroxylation
Aromatic hydroxylation
O-dealkylation
Dioxolane demethylation
N-dealkylation
S-oxidation
Thioesther cleavage
N-oxidation
Amine hydroxylation
Aldehyde oxidation
Alcohol oxidation
Dihydropyrrole aromatization
Aromatization of dihydropyridines
Thioesther bond breaking
Desulphurization of phosphor
[Epoxidation]
Disclaimer
These pages offer minimalistic user interface to
AMBIT
implementation of
OpenTox
REST
services.
Full featured user interface is available via external applications, e.g.
ToxPredict
,
ToxCreate
,
QPRF editor
,
CheS-Mapper
,
Bioclipse-OpenTox
.
Reactant
null
Product
Reaction SMIRKS [C:1]=[C:2]>>[C:1]1[C:2][O]1