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https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
removed bare except but did not test because I don't have the 'requests' library
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@@ -485,7 +485,7 @@ class p_con:
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for bla in mol_list:
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try:
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IC50 += float(bla.GetProp("value"))
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except:
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except Exception:
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print("no IC50 reported",bla.GetProp("_Name"))
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IC50_avg = IC50 / len(mol_list)
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return IC50_avg
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@@ -495,7 +495,7 @@ class p_con:
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for mol in mol_list:
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try:
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IC50_list.append(round(float(mol.GetProp("value")),2))
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except:
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except Exception:
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print("no IC50 reported",mol.GetProp("_Name"))
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IC50_stddev = np.std(IC50_list,ddof=1)
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return IC50_stddev,IC50_list
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@@ -514,7 +514,7 @@ class p_con:
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cansmi = str(cpd.GetProp("cansmirdkit"))
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try:
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IC50_dict[cansmi].append(cpd)
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except:
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except Exception:
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IC50_dict[cansmi] = [cpd]
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for entry in IC50_dict:
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IC50_avg = str(get_mean_IC50(IC50_dict[entry]))
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