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Christina X. Ji

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#machine learning Preprint Aug 2026

MolLedger: An Additive Graph Neural Network with Chemically Grounded ADME Attributions

A new graph neural network architecture with built-in meaningful per-atom attributions that produces attributions that are more faithful to chemical properties than other interpretability methods because the auxiliary loss in MolLedger anchors the atom scores to chemical properties.

Christina X. Ji · 0 citations