February 07, 2024 article Leveraging 2D molecular graph pretraining for improved 3D conformer generation with graph neural networks Computers & Chemical Engineering DOI: 10.1016/j.compchemeng.2024.108622 OpenAlex Authors 0 Author list not loaded yet. Cited by 2 stored of 13 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 Exploring data augmentation: Multi-task methods for molecular property prediction 2025 Computers & Chemical Engineering article Materials Science Machine Learning in Materials Science Open access 2 citations Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding 2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access 24 citations 2 results References 1 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 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 1 result