remove -SHO2 molecules - Githubissues

yiwenwang47 / equus

MIT License

1 stars 1 forks source link

Open yiwenwang47 opened 2 weeks ago

yiwenwang47 commented 5 days ago

smarts = '[#16H1](=[#8])=[#8]'
pattern = Chem.MolFromSmarts(smarts)