most citedBenchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical Spaces

33 citations · 33 across the 1 of their papers we have counts for

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q-bio.QM2021★ 33 cited

Benchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical Spaces

Fabio Broccatelli, Richard Trager, Michael Reutlinger +2

In this work, we benchmark a variety of single- and multi-task graph neural network (GNN) models against lower-bar and higher-bar traditional machine learning approaches employing…