Deep learning allows genome-scale prediction of Michaelis constants from structural features.

PLoS Biol · 2021 · PMC8525774 · PMID 34665809

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marginally statistically significantno p-value reported

While the differences in the error distributions are only marginally statistically significant for RDKit and MACCS keys at the 5% level, these analyses support the choice of the task-specific GNN molecular fingerprint for predicting K M .

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