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The error message relates to strings containing Please, properly quote (the "<>" button above the text input) literal output as it is otherwise difficult to guess what the original input is. |
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I encountered an issue while using the libinvent module, as it failed to perform docking on the generated SMILES. Upon examining the log file, I found the following warnings:
13:57:08 reinvent_plugins.normalizers.rdkit_smiles: c1cccc2c1=C[N+]=C(NCC1=CC(CCNC(C3=C[]C=CC=C3Cc3cc(Cl)c(O)c(N)c3C(=O)O)=O)=C[]C=C1)C=2OC#N|C could not be converted
13:57:08 reinvent_plugins.normalizers.rdkit_smiles: c1cccc2c1=C[N+]=C(NCC1=CC(CCNC(C3=C[]C=CC=C3Cc3cc(Cl)c(O)c(N)c3C(=O)O)=O)=C[]C=C1)C=2OC#N|Cc1onc(C)c1 could not be converted
13:57:08 reinvent_plugins.normalizers.rdkit_smiles: c1cccc2c1=C[N+]=C(NCC1=CC(CCNC(C3=C[]C=CC=C3Cc3cc(Cl)c(O)c(N)c3C(=O)O)=O)=C[]C=C1)C=2OC(=CCN)C|O=C(O)CC could not be converted
What could be the reason for this issue? Is it because the molecular structure I provided is too large or complex? The content of my input file is: Nc1c(O)c(Cl)cc(Cc2ccc[:1]cc2C(=O)NCCc2c[:2]ccc(CNc3[n+]cc4ccccc4c3O)c2)c1C(=O)O. The format seems correct as well.
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