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cs.LG2026
Unveiling Scaling Behaviors in Molecular Language Models: Effects of Model Size, Data, and Representation
Dong Xu, Qihua Pan, Sisi Yuan +3
Molecular generative models, often employing GPT-style language modeling on molecular string representations, have shown promising capabilities when scaled to large datasets and mo…
cs.LG2026
Rethinking Drug-Drug Interaction Modeling as Generalizable Relation Learning
Dong Xu, Jiantao Wu, Qihua Pan +3
Drug-drug interaction (DDI) prediction is central to drug discovery and clinical development, particularly in the context of increasingly prevalent polypharmacy. Although existing…