Latest Research in Machine Learning in Materials Science

Top Research Topics in Machine Learning in Materials Science

• Machine Learning in Materials Science — 2 papers
• Computational Drug Discovery Methods — 1 papers

Highest-Cited Papers

1. Fragment-Based Explainable AI for Pathogen-Selective Antimicrobial Drug Design
2. ActiveFusion: Fused Representations Improve Active Learning for Molecular Property Prediction
3. Geo-Hete-HyperGNN as a prior-free molecular hypergraph representation learning strategy