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ENTITY Extended-connectivity fingerprints

Extended-connectivity fingerprints

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

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  1. TOOL · CL_28344 ·

    GNNs enhanced for drug discovery via ECFP pre-training

    Researchers have developed a new strategy to enhance Graph Neural Networks (GNNs) for drug discovery tasks like Quantitative Structure-Activity Relationship (QSAR) studies. This method involves pre-training GNNs to pred…