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Author: woodthom2

structure_mol_example_python.py

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+from rdkit import Chem
+from rdkit.Chem import Draw
+from drug_named_entity_recognition import find_drugs
+sentences = "I prescribed semaglutide"
+drugs = find_drugs(sentences.split(), is_include_structure=True)
+for drug in drugs:
+    structure_mol = drug[0]["structure_mol"]
+    break
+print (structure_mol)
+
+mol = Chem.MolFromMolBlock(structure_mol)
+image = Draw.MolToImage(mol)
+image.show()