Chirality emerges in SMILES translation models through an abrupt encoder-centered reorganization of representations after a long plateau, identified via checkpoint analysis and ablation.
MolAI: A deep learning framework for data-driven molecular descriptor generation and advanced drug discovery applications.J
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From Syntax to Semantics: Unveiling the Emergence of Chirality in SMILES Translation Models
Chirality emerges in SMILES translation models through an abrupt encoder-centered reorganization of representations after a long plateau, identified via checkpoint analysis and ablation.