November 23, 2023 article Open access Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning Nature Chemistry DOI: 10.1038/s41557-023-01360-5 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 3 stored of 81 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 Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization 2025 Nature Communications article Computer Science Computational Drug Discovery Methods Open access 8 citations Empowering Reactivity Predictions through Noise-Based Data Augmentation 2025 Journal of the American Chemical Society article Materials Science Machine Learning in Materials Science 15 citations Standardized Approach for Diversification of Complex Small Molecules via Aryl Thianthrenium Salts 2025 Journal of the American Chemical Society article Chemistry Sulfur-Based Synthesis Techniques Open access 48 citations 3 results References 0