"""
PubChem_search_compounds_by_similarity
Search by similarity (Tanimoto coefficient), returns CID list of compounds with similarity above ...
"""
from typing import Any, Optional, Callable
from ._shared_client import get_shared_client
[docs]
def PubChem_search_compounds_by_similarity(
smiles: str,
threshold: float,
*,
stream_callback: Optional[Callable[[str], None]] = None,
use_cache: bool = False,
validate: bool = True,
) -> Any:
"""
Search by similarity (Tanimoto coefficient), returns CID list of compounds with similarity above ...
Parameters
----------
smiles : str
SMILES expression of target molecule.
threshold : float
Similarity threshold (between 0 and 1), e.g., 0.9 means 90% similarity.
stream_callback : Callable, optional
Callback for streaming output
use_cache : bool, default False
Enable caching
validate : bool, default True
Validate parameters
Returns
-------
Any
"""
# Handle mutable defaults to avoid B006 linting error
return get_shared_client().run_one_function(
{
"name": "PubChem_search_compounds_by_similarity",
"arguments": {"smiles": smiles, "threshold": threshold},
},
stream_callback=stream_callback,
use_cache=use_cache,
validate=validate,
)
__all__ = ["PubChem_search_compounds_by_similarity"]
