February 12, 2018 preprint Open access Junction Tree Variational Autoencoder for Molecular Graph Generation arXiv (Cornell University) DOI: 10.48550/arxiv.1802.04364 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 828 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 Quantum-Machine-Assisted Drug Discovery: Survey and Perspective 2024 Preprints.org preprint Computer Science Computational Drug Discovery Methods Open access 7 citations Graph Machine Learning for Design of High-Octane Fuels 2022 RWTH Publications (RWTH Aachen) preprint Materials Science Machine Learning in Materials Science Open access 0 citations Obey validity limits of data-driven models through topological data analysis and one-class classification 2021 Optimization and Engineering article Mathematics Advanced Optimization Algorithms Research Open access 57 citations Computational Approaches for De Novo Drug Design: Past, Present, and Future 2020 Methods in molecular biology book-chapter Computer Science Computational Drug Discovery Methods 64 citations Graph Neural Networks for Prediction of Fuel Ignition Quality 2020 Energy & Fuels article Materials Science Machine Learning in Materials Science 142 citations 5 results References 0