Chemical Feature Engineering and Defect-Aware Structural Fingerprint Representations for Complex Defects in 2D Materials.

J Chem Inf Model · 2026 · PMC12933706 · PMID 41674448

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an interesting trendno p-value reported

An interesting trend emerges when the distribution features are excluded: the baseline MAE decreases from 148 ± 3 meV to 129 ± 8 meV, while the number of features is simultaneously reduced from 1557 to 820.

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