cafierom commited on
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11b17b3
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1 Parent(s): 24fcb1d

Update app.py

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Files changed (1) hide show
  1. app.py +1 -0
app.py CHANGED
@@ -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