most citedEnhancing Model Learning and Interpretation Using Multiple Molecular Graph Representations for Compound Property and Activity Prediction

6 citations · 6 across the 1 of their papers we have counts for

collaborators

1 paper

q-bio.BM2023★ 6 cited

Enhancing Model Learning and Interpretation Using Multiple Molecular Graph Representations for Compound Property and Activity Prediction

Apakorn Kengkanna, Masahito Ohue

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structu…