April 06, 2018 article Open access Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties Physical Review Letters DOI: 10.1103/physrevlett.120.145301 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 7 stored of 2,910 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Towards sustainable exploration of chemical spaces with machine learning 2026 Digital Discovery article Materials Science Machine Learning in Materials Science Open access 0 citations Exploring Polymorphism in Metal Carbodiimides from Graph Theory 2025 Inorganic Chemistry article Chemistry Inorganic Chemistry and Materials 0 citations Predicting fracture in disordered network materials using the local intelligent stress threshold indicator 2025 Communications Physics article Materials Science Material Dynamics and Properties Open access 3 citations Machine learning for discrimination of phase‐change chalcogenide glasses 2025 InfoMat article Materials Science Phase-change materials and chalcogenides Open access 25 citations Physical pooling functions in graph neural networks for molecular property prediction 2023 Computers & Chemical Engineering article Computer Science Computational Drug Discovery Methods Open access 59 citations Machine Learning in Chemical Engineering: A Perspective 2021 Chemie Ingenieur Technik article Materials Science Machine Learning in Materials Science Open access 290 citations Theory-training deep neural networks for an alloy solidification benchmark problem 2020 Computational Materials Science article Physics and Astronomy Model Reduction and Neural Networks 39 citations 7 results References 0