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src/a/z/AZOrange-HEAD/azorange/AZutilities/getCinfonyDesc.py   AZOrange(Download)
            mol = str(ex[smilesName].value)
            try:
                chemMol = rdk.Chem.MolFromSmiles(mol,True)
                if not chemMol:
                    chemMol = rdk.Chem.MolFromSmiles(mol,False)
             attrObj = []
             molStr = str(ex[smilesName].value)
             chemMol = rdk.Chem.MolFromSmiles(molStr,True)
             if not chemMol:
                chemMol = rdk.Chem.MolFromSmiles(molStr,False)
        # OBS - add something keeping count on the number of unused smiles
        try:
             chemMol = rdk.Chem.MolFromSmiles(molStr,True)
             if not chemMol:
                chemMol = rdk.Chem.MolFromSmiles(molStr,False) 

src/a/z/AZOrange-HEAD/azorange/AZutilities/SimBoostedQSAR.py   AZOrange(Download)
def getMolFromSmiles(SMILES):
    """ Create Chem-Mol from SMILES being more forgiven with SMILES standards"""
    # TODO: Should be used a clean tool to standerdize the SMILES
    # 1) Try the usual way by setting sanitize flag
    chemMol = rdk.Chem.MolFromSmiles(SMILES,True)
    # 2) Try to unset the sanitize flag. It often helps
    if not chemMol:
        chemMol = rdk.Chem.MolFromSmiles(SMILES,False)

src/a/z/AZOrange-HEAD/azorange/AZutilities/getBBRCDesc.py   AZOrange(Download)
    for ex in newdata:
        smile = str(ex[smilesName].value)
        mol = rdk.Chem.MolFromSmiles(smile)
        if mol is None: 
            continue

src/a/z/AZOrange-HEAD/azorange/AZutilities/dataUtilities.py   AZOrange(Download)
        for a in data:
            smile = str(a[smilesName].value)
            m = rdk.Chem.MolFromSmiles(smile)
            if m is None:
                count += 1