Network from Scientific Research

Open access visualization of Network, Chemical Structure, Heatmap, Training Example, Compounds
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DOI: 10.1038/s41467-025-59418-6

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An illustrated training example: node 0 is the query, nodes 13 are neighbouring compounds and their bioactivity label (LaF). The mean over the neighbourhood is 6.20, which is close to the true label of 6.14 (units: -log10(Ki)).

#Network#Chemical Structure#Heatmap#Training Example#Compounds#Bioactivity Label

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