Spaces:
Running
on
Zero
Running
on
Zero
Update app.py
Browse files
app.py
CHANGED
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@@ -261,6 +261,7 @@ def getbioactives_node(state: State) -> State:
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bioact_string = f'Results for top bioactivity (IC50 value) for molecules in ChEMBL ID: {chembl_id}. \n'
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for smile, ic50 in zip(total_bioact_df['SMILES'], total_bioact_df['IC50s']):
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bioact_string += f'Molecule SMILES: {smile}, IC50 (nM): {ic50}\n'
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current_props_string += bioact_string
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bioact_string = f'Results for top bioactivity (IC50 value) for molecules in ChEMBL ID: {chembl_id}. \n'
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for smile, ic50 in zip(total_bioact_df['SMILES'], total_bioact_df['IC50s']):
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smile = smile.replace('#','~')
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bioact_string += f'Molecule SMILES: {smile}, IC50 (nM): {ic50}\n'
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current_props_string += bioact_string
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