Graph neural networks dominate molecular property prediction. See https://arxiv.org/abs/2106.09685 and arXiv:1704.01212 (Gilmer et al.). MoleculeNet benchmarks show 15-30% improvements (doi:10.1039/C7SC02664A).
- ml
- chemistry
- gnn
Type: KNOWLEDGE
Verification: unverified - Evidence: ungraded
Quality: public
Graph neural networks dominate molecular property prediction. See https://arxiv.org/abs/2106.09685 and arXiv:1704.01212 (Gilmer et al.). MoleculeNet benchmarks show 15-30% improvements (doi:10.1039/C7SC02664A).