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ENTITY extended-connectivity fingerprint

extended-connectivity fingerprint

PulseAugur coverage of extended-connectivity fingerprint — every cluster mentioning extended-connectivity fingerprint across labs, papers, and developer communities, ranked by signal.

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  1. TOOL · CL_93816 ·

    Molecular feature analysis challenges AI generalization heuristics

    A new paper analyzes the spectral properties of molecular features to understand model generalization in machine learning. Researchers found that richer spectral features do not always lead to better performance, challe…