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Zihao Wang
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An architecture of deep learning in QSPR modeling for the prediction of critical properties using molecular signatures
Y Su, Z Wang, S Jin, W Shen, J Ren, MR Eden
AIChE Journal 65 (9), e16678, 2019
842019
Predictive deep learning models for environmental properties: the direct calculation of octanol–water partition coefficients from molecular graphs
Z Wang, Y Su, W Shen, S Jin, JH Clark, J Ren, X Zhang
Green Chemistry 21 (16), 4555-4565, 2019
712019
A novel unambiguous strategy of molecular feature extraction in machine learning assisted predictive models for environmental properties
Z Wang, Y Su, S Jin, W Shen, J Ren, X Zhang, JH Clark
Green Chemistry 22 (12), 3867-3876, 2020
342020
Machine learning for ionic liquid toxicity prediction
Z Wang, Z Song, T Zhou
Processes 9 (1), 65, 2020
322020
A systematic modeling methodology of deep neural network‐based structure‐property relationship for rapid and reliable prediction on flashpoints
H Wen, Y Su, Z Wang, S Jin, J Ren, W Shen, M Eden
AIChE Journal 68 (1), e17402, 2022
312022
Interpretable machine learning for accelerating the discovery of metal-organic frameworks for ethane/ethylene separation
Z Wang, T Zhou, K Sundmacher
Chemical Engineering Journal 444, 136651, 2022
302022
Insights into ensemble learning-based data-driven model for safety-related property of chemical substances
Z Wang, H Wen, Y Su, W Shen, J Ren, Y Ma, J Li
Chemical Engineering Science 248, 117219, 2022
212022
Energy Applications of Ionic Liquids: Recent Developments and Future Prospects
T Zhou, C Gui, L Sun, Y Hu, H Lyu, Z Wang, Z Song, G Yu
Chemical Reviews 123 (21), 12170-12253, 2023
162023
Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling
Z Wang, Y Zhou, T Zhou, K Sundmacher
Computers & Chemical Engineering 160, 107739, 2022
162022
Comprehensive Evaluation of COSMO-RS for Predicting Ternary and Binary Ionic Liquid-Containing Vapor–Liquid Equilibria
H Qin, Z Wang, T Zhou, Z Song
Industrial & Engineering Chemistry Research 60 (48), 17761-17777, 2021
142021
A multi-task deep learning neural network for predicting flammability-related properties from molecular structures
A Yang, Y Su, Z Wang, S Jin, J Ren, X Zhang, W Shen, JH Clark
Green Chemistry 23 (12), 4451-4465, 2021
102021
A neural recommender system for efficient adsorbent screening
X Zhang, S Sethi, Z Wang, T Zhou, Z Qi, K Sundmacher
Chemical Engineering Science 259, 117801, 2022
52022
High-Throughput Computational Screening of Ionic Liquids for Butadiene and Butene Separation
H Qin, Z Wang, Z Song, X Zhang, T Zhou
Processes 10 (1), 165, 2022
32022
Data‐driven integrated design of solvents and extractive distillation processes
Z Wang, T Zhou, K Sundmacher
AIChE Journal 69 (12), e18236, 2023
2023
Molecular Property Targeting for Optimal Solvent Design in Extractive Distillation Processes
Z Wang, T Zhou, K Sundmacher
Computer Aided Chemical Engineering 52, 1247-1252, 2023
2023
A Novel Machine Learning-Based Optimization Approach for the Molecular Design of Solvents
Z Wang, T Zhou, K Sundmacher
Computer Aided Chemical Engineering 51, 1477-1482, 2022
2022
A New Machine Learning Framework for Efficient MOF Discovery: Application to Hydrogen Storage
T Zhou, Z Wang, K Sundmacher
Computer Aided Chemical Engineering 49, 1807-1812, 2022
2022
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