Strong absolute accuracy on mixture properties often masks poor recovery of non-ideal behavior, with large drops under strict molecule splits, making transfer to unseen molecules the central challenge.
Mol-BERT: An Effective Molecular Representation with BERT for Molecular Property Prediction.Wireless Communications and Mobile Computing, 2021(1):7181815, 2021
2 Pith papers cite this work. Polarity classification is still indexing.
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GLACIER combines graph, SMILES, and descriptor encoders with Finsler fusion and contrastive distillation to produce an efficient multimodal model for molecular property prediction.
citing papers explorer
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A Systematic Evaluation of Molecular Mixture Behavior Prediction
Strong absolute accuracy on mixture properties often masks poor recovery of non-ideal behavior, with large drops under strict molecule splits, making transfer to unseen molecules the central challenge.
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GLACIER: A Multimodal Student-Teacher Foundation Model for Molecular Property Prediction
GLACIER combines graph, SMILES, and descriptor encoders with Finsler fusion and contrastive distillation to produce an efficient multimodal model for molecular property prediction.