SC3 is a new multi-solvent solubility benchmark with reproducible curation, Gold/Silver/Bronze tiers, and metrics revealing current models perform 5 times worse than the recalibrated aleatoric limit of 0.106 log S.
Communications Chemistry , year =
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.
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SC3: The Multi-Solvent Solubility Challenge and Benchmark
SC3 is a new multi-solvent solubility benchmark with reproducible curation, Gold/Silver/Bronze tiers, and metrics revealing current models perform 5 times worse than the recalibrated aleatoric limit of 0.106 log S.
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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.