| Combining Group-Contribution concept and graph neural networks toward interpretable molecular property models ARN Aouichaoui, F Fan, SS Mansouri, J Abildskov, G Sin Journal of Chemical Information and Modeling 63 (3), 725-744, 2023 | 19 | 2023 |
| Comparison of group-contribution and machine learning-based property prediction models with uncertainty quantification ARN Aouichaoui, R Al, J Abildskov, G Sin Computer Aided Chemical Engineering 50, 755-760, 2021 | 18 | 2021 |
| Uncertainty estimation in deep learning‐based property models: Graph neural networks applied to the critical properties ARN Aouichaoui, SS Mansouri, J Abildskov, G Sin AIChE Journal 68 (6), e17696, 2022 | 17 | 2022 |
| Application of interpretable group-embedded graph neural networks for pure compound properties ARN Aouichaoui, F Fan, J Abildskov, G Sin Computers & Chemical Engineering 176, 108291, 2023 | 8 | 2023 |
| Analysis and evaluation of periodic separations using COPS trays AAR Nielsen, EC Álvarez, NFV Carlsen, HUR Azizi, SB Jĝrgensen, ... Chemical engineering transactions 69, 733-738, 2018 | 5 | 2018 |
| On The Interpretability of Graph Neural Networks in QSPR Modeling F Fan, ARN Aouichaoui, G Sin Computer Aided Chemical Engineering 51, 1393-1398, 2022 | 3 | 2022 |
| Molecular representations in deep-learning models for chemical property prediction ARN Aouichaoui, F Fan, SS Mansouri, JAG Sin Computer Aided Chemical Engineering 49, 1591-1596, 2022 | 3 | 2022 |
| DeepGSA: Plant Data-Driven Global Sensitivity Analysis using Deep Learning ARN Aouichaoui, R Al, G Sin Computer Aided Chemical Engineering 49, 1759-1764, 2022 | 3 | 2022 |
| Application of Outlier Treatment Towards Improved Property Prediction Models ARN Aouichaoui, SS Mansouri, J Abildskov, G Sin Computer Aided Chemical Engineering 51, 1357-1362, 2022 | 1 | 2022 |
| Digital Integration of Fermentation and Centrifugation Processes: Optimizing Pilot-Plant Biomanufacturing for Enhanced Efficiency AA Malanca, M Stevnsborg, A Aouichaoui, R Barton, G Gilleskie, ... 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Towards Self-Consistent Graph Neural Networks for Predicting the Ideal Gas Heat Capacity, Enthalpy, and Entropy ARN Aouichaoui, S Müller, J Abildskov Computer Aided Chemical Engineering 53, 2833-2838, 2024 | | 2024 |
| Scoping and Identifying Data-Driven Optimization Prospects in the Danish Processing Industry ARN Aouichaoui, BB Ernstsson, P Jul-Rasmussen, NH Iversen, L Vermue, ... Computer Aided Chemical Engineering 53, 451-456, 2024 | | 2024 |
| Energy-and process real-time optimization through hybrid modeling-a case from Viking Malt A/S P Jul-Rasmussen, ARN Aouichaoui, M Korzepa, K Engelbrecht, ... Computer Aided Chemical Engineering 53, 1645-1650, 2024 | | 2024 |
| Machine Learning and Deep Learning Applications for New and Improved Property Predictions ARN Aouichaoui Technical University of Denmark, 2023 | | 2023 |
| S-GNN: State-Dependent Graph Neural Networks for Functional Molecular Properties ARN Aouichaoui, A Cogliati, J Abildskov, G Sin Computer Aided Chemical Engineering 52, 575-581, 2023 | | 2023 |
| Global Systems Analysis Using Deep Learning on Industrially Relevant Large Datasets G Sin, A Aouichaoui 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Combining functional group and Graph Neural Networks Towards Interpretable Molecular Property Models A Aouichaoui, F Fan, SS Mansouri, J Abildskov, G Sin 2022 AIChE Annual Meeting, 2022 | | 2022 |
| The advancement of zero-emission natural gas power plants and their role in future energy supply A Zhang, H Yu, E Gençer, AAR Nielsen, G Sin, S Shi Computer Aided Chemical Engineering 51, 1597-1602, 2022 | | 2022 |
| Prediction of Nitrous Oxide Concentration in Wastewater Treatment Plants: Application and Benchmarking of Deep-Learning Models A Aouichaoui, SB Larsen, MH Andersen, G Sin 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Multi-Task Property Prediction: Importance of the “Chemist-in-the-Loop” in Model Building A Aouichaoui, SS Mansouri, J Abildskov, G Sin 2021 AIChE Annual Meeting, 2021 | | 2021 |
Gürkan SinProfessor, PROSYS research center, Department of Chemical and Biochemical EngineeringVerified email at kt.dtu.dk
