INNER CODE UNIT · Python

AR

dataprofessor/streamlit_freecodecamp · app_10_regression_bioinformatics_solubility/solubility-app.py:24

  AR = AromaticAtom/HeavyAtom
  return AR

def generate(smiles, verbose=False):

    moldata= []
    for elem in smiles:
        mol=Chem.MolFromSmiles(elem)
        moldata.append(mol)

    baseData= np.arange(1,1)
    i=0
    for mol in moldata:

        desc_MolLogP = Descriptors.MolLogP(mol)
        desc_MolWt = Descriptors.MolWt(mol)
        desc_NumRotatableBonds = Descriptors.NumRotatableBonds(mol)
        desc_AromaticProportion = AromaticProportion(mol)

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