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doi: 10 · DOI 10.1039/d5dd00028a

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cs.LG 1

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2026 1

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UNVERDICTED 1

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What Does a Chemical Language Model Know About Molecules?

cs.LG · 2026-06-22 · unverdicted · novelty 6.0

Sparse autoencoders on MolFormer reveal position-tracking latents in early layers and atom-in-substructure plus pharmacologically relevant features in later layers, with non-canonical SMILES causing greater representation disruption than invalid ones.

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  • What Does a Chemical Language Model Know About Molecules? cs.LG · 2026-06-22 · unverdicted · none · ref 4

    Sparse autoencoders on MolFormer reveal position-tracking latents in early layers and atom-in-substructure plus pharmacologically relevant features in later layers, with non-canonical SMILES causing greater representation disruption than invalid ones.