smartclass
Getting Started
Installation
Usage
Command Line Interface
Reference
Functions
bfs_search_classes_generator
calculate_mcs
check_missing_stereochemistry
check_smiles_contains_no_dot
check_smiles_contains_no_isotope
check_smiles_isomeric
combine_csv_files
convert_chemical_formula
convert_classyfire_dict
convert_inchi_to_inchikey
convert_inchi_to_mass
convert_inchi_to_mol
convert_inchi_to_smiles
convert_list_of_dict
convert_mol_to_cxsmiles
convert_mol_to_inchi
convert_mol_to_inchikey
convert_mol_to_smarts
convert_mol_to_smiles
convert_molblock_to_mol
convert_smarts_to_mol
convert_smiles_to_canonical_smiles
convert_smiles_to_formula
convert_smiles_to_inchi
convert_smiles_to_mass
convert_smiles_to_mol
download_file_if_not_exists
enumerate_structures
export_dict_to_json
export_results
fix_inchi_tautomerization
get_class_structures
get_num_atoms_bonds
get_num_matched_atoms_bonds
get_request
load_csv_from_path
load_external_classes_file
load_json_from_path
load_json_from_url
load_json_from_url_or_path
load_pkg_bitter_smiles
load_pkg_chemical_hierarchy
load_pkg_classes
load_pkg_data
load_pkg_file
load_pkg_mappings
load_pkg_mia
load_smiles
load_tsv_from_path
read_query
read_query()
sample_list
search_class
search_classes
split_csv
standardize
smartclass
Reference
read_query
View page source
read_query
read_query
(
query
)
[source]