| Obey validity limits of data-driven models through topological data analysis and one-class classification AM Schweidtmann, JM Weber, C Wende, L Netze, A Mitsos Optimization and engineering 23 (2), 855-876, 2022 | 44 | 2022 |
| Teaching sustainability as complex systems approach: a sustainable development goals workshop JM Weber, CP Lindenmeyer, P Liò, AA Lapkin International Journal of Sustainability in Higher Education 22 (8), 25-41, 2021 | 41 | 2021 |
| Chemical data intelligence for sustainable chemistry JM Weber, Z Guo, C Zhang, AM Schweidtmann, AA Lapkin Chemical Society Reviews 50 (21), 12013-12036, 2021 | 29 | 2021 |
| Interpretation of the vibrational spectra of glassy polymers using coarse-grained simulations R Milkus, C Ness, VV Palyulin, J Weber, A Lapkin, A Zaccone Macromolecules 51 (4), 1559-1572, 2018 | 28 | 2018 |
| Identification of strategic molecules for future circular supply chains using large reaction networks JM Weber, P Lió, AA Lapkin Reaction Chemistry & Engineering 4 (11), 1969-1981, 2019 | 21 | 2019 |
| Physical pooling functions in graph neural networks for molecular property prediction AM Schweidtmann, JG Rittig, JM Weber, M Grohe, M Dahmen, ... Computers & Chemical Engineering 172, 108202, 2023 | 15 | 2023 |
| Graph machine learning for design of high‐octane fuels JG Rittig, M Ritzert, AM Schweidtmann, S Winkler, JM Weber, P Morsch, ... AIChE Journal 69 (4), e17971, 2023 | 10 | 2023 |
| ERnet: a tool for the semantic segmentation and quantitative analysis of endoplasmic reticulum topology M Lu, CN Christensen, JM Weber, T Konno, NF Läubli, KM Scherer, ... Nature Methods, 1-11, 2023 | 9* | 2023 |
| Modelling circular structures in reaction networks: Petri nets and reaction network flux analysis JM Weber, AM Schweidtmann, E Nolasco, AA Lapkin Computer Aided Chemical Engineering 48, 1843-1848, 2020 | 7 | 2020 |
| Micro-kinetics analysis based on partial reaction networks to compare catalysts performances for methane dry reforming reaction Shambhawi, JM Weber, AA Lapkin Chemical Engineering Journal 466, 143212, 2023 | 2 | 2023 |
| Discovering Circular Process Solutions through Automated Reaction Network Optimization JM Weber, Z Guo, AA Lapkin ACS Engineering Au 2 (4), 333-349, 2022 | 1 | 2022 |
| Empirical assessment of ChatGPT’s answering capabilities in natural science and engineering L Schulze Balhorn, JM Weber, S Buijsman, JR Hildebrandt, M Ziefle, ... Scientific Reports 14 (1), 4998, 2024 | | 2024 |
| Guiding diffusion models for antibody sequence and structure co-design with developability properties A Villegas-Morcillo, JM Weber, MJT Reinders bioRxiv, 2023.11. 22.568230, 2023 | | 2023 |
| Graph-to-String Variational Autoencoder for Synthetic Polymer Design G Vogel, P Sortino, JM Weber AI for Accelerated Materials Design-NeurIPS 2023 Workshop, 2023 | | 2023 |
| Computer-Aided Fuel Design with Generative Graph Machine Learning JG Rittig, M Ritzert, AM Schweidtmann, S Winkler, JM Weber, P Morsch, ... 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Circular chemistry through network science and optimisation on big data J Weber | | 2022 |
| Integration of biowaste into chemical reaction networks A Arun, J Weber, Z Guo, A Lapkin | | 2021 |
