| Deep learning and knowledge-based methods for computer-aided molecular design—toward a unified approach: State-of-the-art and future directions AS Alshehri, R Gani, F You Computers & Chemical Engineering 141, 107005, 2020 | 106 | 2020 |
| Machine learning to predict standard enthalpy of formation of hydrocarbons KK Yalamanchi, VCO Van Oudenhoven, F Tutino, M Monge-Palacios, ... The Journal of Physical Chemistry A 123 (38), 8305-8313, 2019 | 66 | 2019 |
| Next generation pure component property estimation models: With and without machine learning techniques AS Alshehri, AK Tula, F You, R Gani AIChE Journal 68 (6), e17469, 2022 | 64 | 2022 |
| Deep learning to catalyze inverse molecular design AS Alshehri, F You Chemical Engineering Journal 444, 136669, 2022 | 22 | 2022 |
| Machine learning for multiscale modeling in computational molecular design AS Alshehri, F You Current Opinion in Chemical Engineering 36, 100752, 2022 | 20 | 2022 |
| Generative ai and process systems engineering: The next frontier B Decardi-Nelson, AS Alshehri, A Ajagekar, F You Computers & Chemical Engineering, 108723, 2024 | 16 | 2024 |
| Paradigm shift: the promise of deep learning in molecular systems engineering and design AS Alshehri, F You Frontiers in Chemical Engineering 3, 700717, 2021 | 11 | 2021 |
| An integrated chemical engineering approach to understanding microplastics RS Bang, M Bergman, T Li, F Mukherjee, AS Alshehri, NL Abbott, ... AIChE Journal 69 (4), e18020, 2023 | 10 | 2023 |
| A platform of machine learning-based next-generation property estimation methods for CAMD AS Alshehri, AK Tula, L Zhang, R Gani, F You Computer Aided Chemical Engineering 50, 227-233, 2021 | 10 | 2021 |
| Large Language Models for Life Cycle Assessments: Opportunities, Challenges, and Risks N Preuss, AS Alshehri, F You Journal of Cleaner Production, 142824, 2024 | 6 | 2024 |
| Leveraging 2D molecular graph pretraining for improved 3D conformer generation with graph neural networks K Alhamoud, Y Ghunaim, AS Alshehri, G Li, B Ghanem, F You Computers & Chemical Engineering 183, 108622, 2024 | 6 | 2024 |
| An Intensified Green Process for the Coproduction of DMC and DMO by the Oxidative Carbonylation of Methanol AA Al-Rabiah, AM Almutlaq, OS Bashth, TM Alyasser, FA Alshehri, ... Processes 10 (10), 2094, 2022 | 5 | 2022 |
| Comparative Kinetic Analysis and Process Optimization for the Production of Dimethyl Ether via Methanol Dehydration over a γ‐Alumina Catalyst AA Al-Rabiah, AS Alshehri, A Ibn Idriss, OY Abdelaziz Chemical Engineering & Technology 45 (2), 319-328, 2022 | 5 | 2022 |
| Multimodal Deep Learning for Scientific Imaging Interpretation AS Alshehri, FL Lee, S Wang arXiv preprint arXiv:2309.12460, 2023 | 3 | 2023 |
| Generative artificial intelligence in chemical engineering spans multiple scales B Decardi-Nelson, AS Alshehri, F You Frontiers in Chemical Engineering 6, 1458156, 2024 | 1 | 2024 |
| Versatile Deep Learning Pipeline for Transferable Chemical Data Extraction AS Alshehri, KA Horstmann, F You Journal of Chemical Information and Modeling 64 (15), 5888-5899, 2024 | 1 | 2024 |
| Deep Reinforcement Learning to Address Uncertainties in Computational Molecular Design B Tantisujjatham, AS Alshehri, F You 2022 AIChE Annual Meeting, 2022 | 1 | 2022 |
| Deep Learning for Molecular Design: Models, Frameworks, and Applications ASA Alshehri Cornell University, 2024 | | 2024 |
