Extended study on atomic featurization in graph neural networks for molecular property prediction
Article in Journal of Cheminformatics (September 2023)
The most recent citing publications are shown below. View all 27 publications that cite this research output on Dimensions.
MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning
Article in Journal of Chemical Information and Modeling (April 2023)
Cell Painting-based bioactivity prediction boosts high-throughput screening hit-rates and compound diversity
Preprint in bioRxiv (April 2023)