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Update app.py
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app.py
CHANGED
@@ -23,10 +23,10 @@ def find_qsar_guid_from_prompt(prompt: str, qsar_guid_index: int) -> str:
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qsar_guid_index: The qsar guid index to select given the prompt that the user gave, so if the user asks for solubility, the qsar guid should be possible_qsar_guids[0].key
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"""
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return possible_qsar_guids[qsar_guid_index]
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@tool
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def qsartoolbox_qsar_model_tool(smiles:str, qsarModelGUID: str)-> str:
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"""This machine learning model serves as an interface for the QSAR Toolbox API,
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allowing users to input SMILES strings and select a QSAR model to generate predictive values for various properties.
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@@ -35,7 +35,13 @@ def qsartoolbox_qsar_model_tool(smiles:str, qsarModelGUID: str)-> str:
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qsarModelGUID: a qsar model guid to use
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"""
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final_answer = FinalAnswerTool()
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qsar_guid_index: The qsar guid index to select given the prompt that the user gave, so if the user asks for solubility, the qsar guid should be possible_qsar_guids[0].key
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"""
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return possible_qsar_guids[qsar_guid_index]['key']
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@tool
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def qsartoolbox_qsar_model_tool(smiles:str, qsarModelGUID: str)-> Optional[str]:
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"""This machine learning model serves as an interface for the QSAR Toolbox API,
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allowing users to input SMILES strings and select a QSAR model to generate predictive values for various properties.
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qsarModelGUID: a qsar model guid to use
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"""
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results = jaqpot.qsartoolbox_qsar_model_predict_sync(smiles, qsarModelGUID)
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result = next((x for x in results if x["Value"] != ''), None)
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if(result != None):
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return result['Value']
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else
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return None
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final_answer = FinalAnswerTool()
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