Index

Symbols

--all-properties command line option --format command line option --include-3d command line option --output command line option

--props command line option -f command line option -o command line option

A

AmbiguousIdentifierError

C

canonical_smiles (ChemInformant.models.Compound attribute), [1] cas (ChemInformant.models.Compound attribute), [1] ChemInformant.api_helpers module ChemInformant.cheminfo_api module ChemInformant.models module cid (ChemInformant.models.Compound attribute), [1] command line option --all-properties --format --include-3d --output --props -f -o identifier identifiers

Compound (class in ChemInformant.models)

D

description (ChemInformant.models.Compound attribute)

draw_compound() (in module ChemInformant.cheminfo_api)

G

get_atom_stereo_count() (in module ChemInformant.cheminfo_api) get_batch_properties() (in module ChemInformant.api_helpers) get_bond_stereo_count() (in module ChemInformant.cheminfo_api) get_canonical_smiles() (in module ChemInformant.cheminfo_api) get_cas() (in module ChemInformant.cheminfo_api) get_cas_for_cid() (in module ChemInformant.api_helpers) get_charge() (in module ChemInformant.cheminfo_api) get_cids_by_name() (in module ChemInformant.api_helpers) get_cids_by_smiles() (in module ChemInformant.api_helpers) get_complexity() (in module ChemInformant.cheminfo_api) get_compound() (in module ChemInformant.cheminfo_api) get_compounds() (in module ChemInformant.cheminfo_api) get_covalent_unit_count() (in module ChemInformant.cheminfo_api) get_exact_mass() (in module ChemInformant.cheminfo_api) get_formula() (in module ChemInformant.cheminfo_api)

get_h_bond_acceptor_count() (in module ChemInformant.cheminfo_api) get_h_bond_donor_count() (in module ChemInformant.cheminfo_api) get_heavy_atom_count() (in module ChemInformant.cheminfo_api) get_inchi() (in module ChemInformant.cheminfo_api) get_inchi_key() (in module ChemInformant.cheminfo_api) get_isomeric_smiles() (in module ChemInformant.cheminfo_api) get_iupac_name() (in module ChemInformant.cheminfo_api) get_monoisotopic_mass() (in module ChemInformant.cheminfo_api) get_properties() (in module ChemInformant.cheminfo_api) get_rotatable_bond_count() (in module ChemInformant.cheminfo_api) get_session() (in module ChemInformant.api_helpers) get_synonyms() (in module ChemInformant.cheminfo_api) get_synonyms_for_cid() (in module ChemInformant.api_helpers) get_tpsa() (in module ChemInformant.cheminfo_api) get_weight() (in module ChemInformant.cheminfo_api) get_xlogp() (in module ChemInformant.cheminfo_api)

I

identifier command line option identifiers command line option

input_identifier (ChemInformant.models.Compound attribute), [1] isomeric_smiles (ChemInformant.models.Compound attribute), [1] iupac_name (ChemInformant.models.Compound attribute), [1]

M

model_config (ChemInformant.models.Compound attribute) module ChemInformant.api_helpers ChemInformant.cheminfo_api ChemInformant.models

molecular_formula (ChemInformant.models.Compound attribute), [1] molecular_weight (ChemInformant.models.Compound attribute), [1]

N

NotFoundError

P

pubchem_url (ChemInformant.models.Compound attribute) (ChemInformant.models.Compound property)

S

setup_cache() (in module ChemInformant.api_helpers)

synonyms (ChemInformant.models.Compound attribute), [1]

T

to_float() (ChemInformant.models.Compound class method)

X

xlogp (ChemInformant.models.Compound attribute), [1]