Error Drawing ROMol structure in some chemical structures #5157
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andresilvapimentel
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The easiest solution? Correct structures, as non of them is correct. |
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How can I solve this error? Any suggestion?
#Drawing ROMol structure
PandasTools.AddMoleculeColumnToFrame(dfoleos, smilesCol="smiles")
#Drawing ROMol structure
PandasTools.AddMoleculeColumnToFrame(dfoleos, smilesCol="smiles")
RDKit ERROR: [19:21:28] Explicit valence for atom # 0 N, 5, is greater than permitted
RDKit ERROR: [19:21:28] Can't kekulize mol. Unkekulized atoms: 9
RDKit ERROR:
RDKit ERROR: [19:21:28] Explicit valence for atom # 10 N, 4, is greater than permitted
RDKit ERROR: [19:21:28] Explicit valence for atom # 10 N, 4, is greater than permitted
RDKit ERROR: [19:21:28] Can't kekulize mol. Unkekulized atoms: 4
RDKit ERROR:
RDKit ERROR: [19:21:28] Can't kekulize mol. Unkekulized atoms: 4
RDKit ERROR:
The chemical structures with this issue are:
[NH4]Pt(Cl)Cl
c1ccc(cc1)n2c(=O)c(c(=O)n2c3ccccc3)CCS(=O)c4ccccc4
Cc1cc2c(cc1C)N3C=N2[Co+]456(N7=C8C@HCCC(=O)N)O
Cc1cc2c(cc1C)N3C=N2[Co]456(N7=C8C@HCCC(=O)N)C#N
CCCCc1c(=O)n(n(c1=O)c2ccc(cc2)O)c3ccccc3
CCCCc1c(=O)n(n(c1=O)c2ccccc2)c3ccccc3
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