An AutoGluon-based pipeline called CaliciBoost reports state-of-the-art Caco-2 permeability prediction (MAE 0.2560) and claims 3D descriptors add value.
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CaliciBoost: Performance-Driven Evaluation of Molecular Representations for Caco-2 Permeability Prediction
An AutoGluon-based pipeline called CaliciBoost reports state-of-the-art Caco-2 permeability prediction (MAE 0.2560) and claims 3D descriptors add value.