smartclass
Getting Started
Installation
Usage
Command Line Interface
Reference
smartclass
Index
Index
Symbols
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B
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C
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D
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E
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F
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G
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L
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M
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R
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S
Symbols
--classes-file
smartclass-searchclasses command line option
--classes-name-id
smartclass-searchclasses command line option
--classes-name-smarts
smartclass-searchclasses command line option
--closest-only
smartclass-searchclasses command line option
--fp-len
smartclass-getlatestchembl command line option
--include-hierarchy
smartclass-searchclasses command line option
--input-file
smartclass-combinecsvfiles command line option
--input-smiles
smartclass-searchclasses command line option
--max-atoms
smartclass-getlatestchembl command line option
--output
smartclass-combinecsvfiles command line option
smartclass-querywikidata command line option
--query
smartclass-querywikidata command line option
--remove_prefix
smartclass-querywikidata command line option
--report-interval
smartclass-getlatestchembl command line option
--smiles
smartclass-searchclasses command line option
--tautomer-fingerprints
smartclass-getlatestchembl command line option
--transform
smartclass-querywikidata command line option
--url
smartclass-querywikidata command line option
--verbose
smartclass-searchclasses command line option
--version
smartclass command line option
-c
smartclass-searchclasses command line option
-d
smartclass-searchclasses command line option
-e
smartclass-searchclasses command line option
-f
smartclass-getlatestchembl command line option
smartclass-searchclasses command line option
-i
smartclass-combinecsvfiles command line option
smartclass-searchclasses command line option
-m
smartclass-getlatestchembl command line option
-o
smartclass-combinecsvfiles command line option
smartclass-querywikidata command line option
-q
smartclass-querywikidata command line option
-r
smartclass-getlatestchembl command line option
smartclass-querywikidata command line option
-s
smartclass-searchclasses command line option
-t
smartclass-getlatestchembl command line option
smartclass-querywikidata command line option
-u
smartclass-querywikidata command line option
-v
smartclass-searchclasses command line option
-z
smartclass-searchclasses command line option
B
bfs_search_classes_generator() (in module smartclass)
C
calculate_mcs() (in module smartclass)
check_missing_stereochemistry() (in module smartclass)
check_smiles_contains_no_dot() (in module smartclass)
check_smiles_contains_no_isotope() (in module smartclass)
check_smiles_isomeric() (in module smartclass)
combine_csv_files() (in module smartclass)
convert_chemical_formula() (in module smartclass)
convert_classyfire_dict() (in module smartclass)
convert_inchi_to_inchikey() (in module smartclass)
convert_inchi_to_mass() (in module smartclass)
convert_inchi_to_mol() (in module smartclass)
convert_inchi_to_smiles() (in module smartclass)
convert_list_of_dict() (in module smartclass)
convert_mol_to_cxsmiles() (in module smartclass)
convert_mol_to_inchi() (in module smartclass)
convert_mol_to_inchikey() (in module smartclass)
convert_mol_to_smarts() (in module smartclass)
convert_mol_to_smiles() (in module smartclass)
convert_molblock_to_mol() (in module smartclass)
convert_smarts_to_mol() (in module smartclass)
convert_smiles_to_canonical_smiles() (in module smartclass)
convert_smiles_to_formula() (in module smartclass)
convert_smiles_to_inchi() (in module smartclass)
convert_smiles_to_mass() (in module smartclass)
convert_smiles_to_mol() (in module smartclass)
D
download_file_if_not_exists() (in module smartclass)
E
enumerate_structures() (in module smartclass)
export_dict_to_json() (in module smartclass)
export_results() (in module smartclass)
F
fix_inchi_tautomerization() (in module smartclass)
G
get_class_structures() (in module smartclass)
get_num_atoms_bonds() (in module smartclass)
get_num_matched_atoms_bonds() (in module smartclass)
get_request() (in module smartclass)
L
load_csv_from_path() (in module smartclass)
load_external_classes_file() (in module smartclass)
load_json_from_path() (in module smartclass)
load_json_from_url() (in module smartclass)
load_json_from_url_or_path() (in module smartclass)
load_pkg_bitter_smiles() (in module smartclass)
load_pkg_chemical_hierarchy() (in module smartclass)
load_pkg_classes() (in module smartclass)
load_pkg_data() (in module smartclass)
load_pkg_file() (in module smartclass)
load_pkg_mappings() (in module smartclass)
load_pkg_mia() (in module smartclass)
load_smiles() (in module smartclass)
load_tsv_from_path() (in module smartclass)
M
module
smartclass.api
R
read_query() (in module smartclass)
S
sample_list() (in module smartclass)
search_class() (in module smartclass)
search_classes() (in module smartclass)
smartclass command line option
--version
smartclass-combinecsvfiles command line option
--input-file
--output
-i
-o
smartclass-getlatestchembl command line option
--fp-len
--max-atoms
--report-interval
--tautomer-fingerprints
-f
-m
-r
-t
smartclass-querywikidata command line option
--output
--query
--remove_prefix
--transform
--url
-o
-q
-r
-t
-u
smartclass-searchclasses command line option
--classes-file
--classes-name-id
--classes-name-smarts
--closest-only
--include-hierarchy
--input-smiles
--smiles
--verbose
-c
-d
-e
-f
-i
-s
-v
-z
smartclass.api
module
split_csv() (in module smartclass)
standardize() (in module smartclass)