MolVS
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Standardization
Tautomers
Fragments
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MolVS
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Index
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A
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C
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D
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E
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F
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I
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L
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M
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N
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P
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R
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S
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V
_
__call__() (molvs.charge.Reionizer method)
(molvs.charge.Uncharger method)
(molvs.fragment.FragmentRemover method)
(molvs.fragment.LargestFragmentChooser method)
(molvs.metal.MetalDisconnector method)
(molvs.normalize.Normalizer method)
(molvs.standardize.Standardizer method)
(molvs.tautomer.TautomerCanonicalizer method)
(molvs.tautomer.TautomerEnumerator method)
(molvs.validate.Validator method)
A
ACID_BASE_PAIRS (in module molvs.charge)
AcidBasePair (class in molvs.charge)
C
canonicalize() (molvs.tautomer.TautomerCanonicalizer method)
canonicalize_tautomer (molvs.standardize.Standardizer attribute)
canonicalize_tautomer_smiles() (in module molvs.standardize)
charge_parent() (molvs.standardize.Standardizer method)
choose() (molvs.fragment.LargestFragmentChooser method)
D
DichloroethaneValidation (class in molvs.validations)
disconnect() (molvs.metal.MetalDisconnector method)
disconnect_metals (molvs.standardize.Standardizer attribute)
E
entire_fragment (molvs.validations.SmartsValidation attribute)
enumerate() (molvs.tautomer.TautomerEnumerator method)
enumerate_tautomers (molvs.standardize.Standardizer attribute)
enumerate_tautomers_smiles() (in module molvs.standardize)
F
fragment_parent() (molvs.standardize.Standardizer method)
FragmentPattern (class in molvs.fragment)
FragmentRemover (class in molvs.fragment)
FragmentValidation (class in molvs.validations)
I
is_organic() (in module molvs.fragment)
IsNoneValidation (class in molvs.validations)
isotope_parent() (molvs.standardize.Standardizer method)
IsotopeValidation (class in molvs.validations)
L
largest_fragment (molvs.standardize.Standardizer attribute)
LargestFragmentChooser (class in molvs.fragment)
LEAVE_LAST (in module molvs.fragment)
level (molvs.validations.SmartsValidation attribute)
LONG_FORMAT (in module molvs.validate)
M
MAX_RESTARTS (in module molvs.normalize)
MAX_TAUTOMERS (in module molvs.tautomer)
message (molvs.validations.SmartsValidation attribute)
MetalDisconnector (class in molvs.metal)
molvs (module)
molvs.charge (module)
molvs.cli (module)
molvs.errors (module)
molvs.fragment (module)
molvs.metal (module)
molvs.normalize (module)
molvs.standardize (module)
molvs.tautomer (module)
molvs.validate (module)
molvs.validations (module)
MolVSError
N
NeutralValidation (class in molvs.validations)
NoAtomValidation (class in molvs.validations)
Normalization (class in molvs.normalize)
NORMALIZATIONS (in module molvs.normalize)
normalize (molvs.standardize.Standardizer attribute)
normalize() (molvs.normalize.Normalizer method)
Normalizer (class in molvs.normalize)
P
PREFER_ORGANIC (in module molvs.fragment)
R
reionize (molvs.standardize.Standardizer attribute)
reionize() (molvs.charge.Reionizer method)
Reionizer (class in molvs.charge)
remove() (molvs.fragment.FragmentRemover method)
REMOVE_FRAGMENTS (in module molvs.fragment)
remove_fragments (molvs.standardize.Standardizer attribute)
S
SIMPLE_FORMAT (in module molvs.validate)
smarts (molvs.validations.SmartsValidation attribute)
SmartsValidation (class in molvs.validations)
standardize() (molvs.standardize.Standardizer method)
standardize_smiles() (in module molvs.standardize)
StandardizeError
Standardizer (class in molvs.standardize)
stereo_parent() (molvs.standardize.Standardizer method)
StopValidateError
super_parent() (molvs.standardize.Standardizer method)
T
tautomer_parent() (molvs.standardize.Standardizer method)
TAUTOMER_SCORES (in module molvs.tautomer)
TAUTOMER_TRANSFORMS (in module molvs.tautomer)
TautomerCanonicalizer (class in molvs.tautomer)
TautomerEnumerator (class in molvs.tautomer)
TautomerScore (class in molvs.tautomer)
TautomerTransform (class in molvs.tautomer)
U
uncharge (molvs.standardize.Standardizer attribute)
uncharge() (molvs.charge.Uncharger method)
Uncharger (class in molvs.charge)
V
validate_smiles() (in module molvs.validate)
ValidateError
Validation (class in molvs.validations)
VALIDATIONS (in module molvs.validations)
Validator (class in molvs.validate)
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