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Despite being a co-author of the DeepSMILES paper, my interest has been to apply generative methods to fuzz test SMILES parsers, so never really got into the wh
by eesmith 3y ago
Despite being a co-author of the DeepSMILES paper, my interest has been to apply generative methods to fuzz test SMILES parsers, so never really got into the whole SELFIES v. (Deep)SMILES debate.
Instead, I came here for a bit of sniping. It's a bit of fun to date when the research started by looking at it's data sets. The paper uses "ChEBML (version 28)"; ChEMBL 28 came out 2021, and hasn't been 'latest' for nearly three years.