القائمة
Retrieve SMILES strings from PubChem database using compound names.
التثبيت باستخدام Codex أو Claude انسخ هذا Prompt والصقه في Codex أو Claude أو مساعد آخر ليراجع صفحة Skill ويثبّتها لك.
استنادا إلى تصنيف SOC المهني
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| name | molclaw-compound-retrieve |
| description | Retrieve SMILES strings from PubChem database using compound names. |
| license | MIT license |
| metadata | {"skill-author":"PJLab"} |
The description of tool retrieve_smiles_by_compoundname.
Retrieve SMILES strings from PubChem using compound names.
Args:
compound_names (List[str]): List of input compound names (e.g., ["aspirin", "caffeine"])
Return:
status (str): success/partial_success/error
msg (str): message
retrieve_smiles (List[dict]): List of dict, each containing the keys 'compound_name' and 'smiles'.
--compound_name (str): A compound name of compound_names
--smiles (str): The retrieved SMILES string, if it exists; otherwise, None.
How to use tool retrieve_smiles_by_compoundname :
response = await client.session.call_tool(
"retrieve_smiles_by_compoundname",
arguments={
"compound_names": compound_names
}
)
result = client.parse_result(response)
retrieve_smiles = result["retrieve_smiles"]