On chemistry SMILES with a fixed 165-token base, BPE and Unigram-LM produce near-disjoint vocabularies (Jaccard ≤0.161) and Unigram-LM emits 29–41% more tokens across 22 matched conditions.
CycPeptM- PDB: A comprehensive database of membrane permeability of cyclic peptides.Journal of Chemical Information and Modeling, 63(7):2240–2250, 2023
1 Pith paper cite this work, alongside 77 external citations. Polarity classification is still indexing.
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Where to cut, how deep: BPE and Unigram-LM on chemistry SMILES
On chemistry SMILES with a fixed 165-token base, BPE and Unigram-LM produce near-disjoint vocabularies (Jaccard ≤0.161) and Unigram-LM emits 29–41% more tokens across 22 matched conditions.