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kirkdotcam/rdkit_custom5reupload.py

Last active December 17, 2018 19:38
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rdkit_custom5reupload.py
search_failure = []
for drug in top200_names:
res = requests.get(f"https://cactus.nci.nih.gov/chemical/structure/{drug}/stdinchi")
if res.status_code == 404:
search_failure.append(drug)
else:
inchi_to_mol_file(res.text, drug)
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