Jeongbin's Study Room📖 👉 nate9389.tistory.com/ Python Functions for Organic Chemistry ✍ 👉nate9389.tistory.com/2396 ** Code in the Video🗝(Python) 1. SMILES-to-drawing function from rdkit import Chem from rdkit.Chem import Draw smiles = ‘C’ # Replace with your SMILES string molecule = Chem.MolFromSmiles(smiles) Draw.MolToImage(molecule) 2. SMILES-to-IUPAC function from STOUT import translate_forward, translate_reverse # SMILES to IUPAC name translation SMILES = smiles IUPAC_name = translate_forward(SMILES) print(“IUPAC name of “+SMILES+” is: “+IUPAC_name)
Jeongbin's Study Room📖
👉 nate9389.tistory.com/
Python Functions for Organic Chemistry ✍
👉nate9389.tistory.com/2396
** Code in the Video🗝(Python)
1. SMILES-to-drawing function
from rdkit import Chem
from rdkit.Chem import Draw
smiles = ‘C’ # Replace with your SMILES string
molecule = Chem.MolFromSmiles(smiles)
Draw.MolToImage(molecule)
2. SMILES-to-IUPAC function
from STOUT import translate_forward, translate_reverse
# SMILES to IUPAC name translation
SMILES = smiles
IUPAC_name = translate_forward(SMILES)
print(“IUPAC name of “+SMILES+” is: “+IUPAC_name)