Machine learning-assisted designing of compounds with higher glass transition temperature. Chemical space visualization and synthetic accessibility determination

Fatimah Mohammed A. Alzahrani, Norah Salem Alsaiari, Sumaira Naeem and M. S. Al-Buriahi

New J. Chem., 2025, 49, 5555
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Discovery of thermosetting polymers with low hygroscopicity, low thermal expansivity, and high modulus by machine learning

Xinyao Xu, Wenlin Zhao, Yaxi Hu, Liquan Wang, Jiaping Lin, Huimin Qi and Lei Du

J. Mater. Chem. A, 2023, 11, 12918
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Computational and data-driven modelling of solid polymer electrolytes

Kaiyang Wang, Haoyuan Shi, Tianjiao Li, Liming Zhao, Hanfeng Zhai, Deepa Korani and Jingjie Yeo

Digital Discovery, 2023, 2, 1660
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Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction

Alejandra Hinostroza Caldas, Artem Kokorin, Alexandre Tkatchenko and Leonardo Medrano Sandonas

Digital Discovery, 2026, 5, 803
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Basic concepts and tools of artificial intelligence in polymer science

Khalid Ferji

Polym. Chem., 2025, 16, 2457
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Prediction of band gap for 2D hybrid organic–inorganic perovskites by using machine learning through molecular graphics descriptors

Zhongyu Wan, Quan-De Wang, Dongchang Liu and Jinhu Liang

New J. Chem., 2021, 45, 9427
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Preparation of a metal‒organic framework glass‒based chiral stationary phase for HPLC enantiomer separation

Han Yang, Fu-Chang Liang, Bo Tang, Hai-Xiong Chen, Si-Yun Fu, Song-Liang Cai, Wei-Guang Zhang, Jun Fan and Sheng-Run Zheng

Journal of Solid State Chemistry, 2025, 346, 125252
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Quantum discord and classical correlation in two coupled double quantum dots system

Hao Wang

Appl. Phys. A, 2025, 131
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Predicting glass transition temperatures with polymer chain segments

Feng Wu, Zhengjun Fang and Xinliang Yu

Molecular Physics, 2026, 124
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Relating molecular descriptors to frontier orbital energy levels, singlet and triplet excited states of fused tricyclics using machine learning

Kai Lin Woon, Zhao Xian Chong, Azhar Ariffin and Chee Seng Chan

Journal of Molecular Graphics and Modelling, 2021, 105, 107891
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Exploring the photodetection properties of layered GeSe single-crystal

Megha Patel, Abhishek Patel, Mohit Tannarana, Pratik M. Pataniya, Chetan Zankat, Ankurkumar J. Khimani and G. K. Solanki

Appl. Phys. A, 2025, 131
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Palladium Price Predictions via Machine Learning

Bingzi Jin and Xiaojie Xu

Mater Circ Econ, 2024, 6
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Synthesis of polyoxometalate compounds based on mechanically activated precursors and study of their physicochemical properties

Albert S. Akimov, Nikita Zhirov, Igor P. Prosvirin, Evgeny Yu Gerasimov and Akim S. Akimov

Journal of Solid State Chemistry, 2025, 349, 125420
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Forecasts of China Mainland New Energy Index Prices through Gaussian Process Regressions

Bingzi Jin and Xiaojie Xu

J. Clean. Energy. Energy. Storage., 2024, 01
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Machine learning bioactive compound solubilities in supercritical carbon dioxide

Yun Zhang and Xiaojie Xu

Chemical Physics, 2021, 550, 111299
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Application of monomer structures and fragments of local symmetry for simulation of glass transition temperatures of polymers

A.P. Toropova, A.A. Toropov, V.O. Kudyshkin, D. Leszczynska and J. Leszczynski

SAR and QSAR in Environmental Research, 2025, 36, 29
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A Bayesian-Optimized Gaussian Process Framework for Carbon Market Price Forecasting: An Application to Fujian’s Emissions Trading Scheme

Bingzi Jin and Xiaojie Xu

J. Transt. Econ. Financ., 2026, 02
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Green synthesis of graphitic nanofillers and analysis of 3D-printed graphitic nanofiller-reinforced PLA nanocomposites by impedance spectroscopy

B. V. Triveni, H. S. Lalithamba, Rashmi and G. K. Prashanth

J Mater Sci: Mater Electron, 2025, 36
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Regional steel price index predictions for the southwest Chinese market through machine learning

Bingzi Jin and Xiaojie Xu

Ironmaking & Steelmaking: Processes, Products and Applications, 2024
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Beyond Order: Perspectives on Leveraging Machine Learning for Disordered Materials

Hamidreza Yazdani Sarvestani, Surabhi Nadigotti, Erfan Fatehi, Derek Aranguren van Egmond and Behnam Ashrafi

Adv Eng Mater, 2025, 27
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Scrap steel price predictions for southwest China via machine learning

Bingzi Jin and Xiaojie Xu

Innov. Emerg. Technol., 2025, 12
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Machine Learning-Guided Exploration of Glass-Forming Ability in Multicomponent Alloys

Yi Yao, Timothy Sullivan, Feng Yan, Jiaqi Gong and Lin Li

JOM, 2022, 74, 4853
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Predicting Residential Real Estate Values in China: An Empirical Analysis of Quzhou Utilizing a Novel Hybrid Computational Framework Integrating Gaussian Process Regression with Bayesian Hyperparameter Optimization

Bingzi Jin and Xiaojie Xu

Econ. Open, 2025, 01
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Data mining and library generation to search electron-rich and electron-deficient building blocks for the designing of polymers for photoacoustic imaging

Muhammad Ishfaq, Tayyaba Mubashir, Safaa N. Abdou, Mudassir Hussain Tahir, Mohamed Ibrahim Halawa, Mohamed M. Ibrahim and Yulin Xie

Heliyon, 2023, 9, e21332
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Effect of dental ceramic coating on thermal, mechanical, and dielectric properties of glass fiber-reinforced wave transparent composite

Muhammad Qasim, Muhammad Talha Shabbir, Tayyab Hussain, Imran Haider, Muhammad Hassan and Mustafa Anwar

J Mater Sci: Mater Electron, 2025, 36
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Predicting glass transition temperatures for OLED organics with random forest algorithm

Xinliang Yu

Chemical Physics, 2025, 591, 112579
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Machine learning-driven forecasting of composite wholesale price indices for agricultural commodities in the Vegetable Basket Project

Bingzi Jin and Xiaojie Xu

Qual Quant, 2026, 60, 10307
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Machine-Learning-Guided Discovery of 19F MRI Agents Enabled by Automated Copolymer Synthesis

Marcus Reis, Filipp Gusev, Nicholas G. Taylor, Sang Hun Chung, Matthew D. Verber, Yueh Z. Lee, Olexandr Isayev and Frank A. Leibfarth

J. Am. Chem. Soc., 2021, 143, 17677
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Predicting mechanical performance of starch-based foam materials

Yun Zhang and Xiaojie Xu

Journal of Cellular Plastics, 2022, 58, 505
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A new Li2Mg6TiO9-based microwave dielectric ceramic with ultrahigh quality factor

Chenxi Cai, Zhenli Tao and Jianan Zuo

J Mater Sci: Mater Electron, 2024, 35
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Glass transition temperature prediction of disordered molecular solids

Kun-Han Lin, Leanne Paterson, Falk May and Denis Andrienko

npj Comput Mater, 2021, 7
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Mechanical Performance of Additively Manufactured Polymer Based Honeycomb Protective Structures With Bio‐Inspired Detachable Mortise‐Tenon Joints

Jianxun Du, Honghao Zhang, Jin Dong, Chaoqi Xu, Tengfei Wang, Chengzhou Xue and Jing Xiao

J of Applied Polymer Sci, 2026, 143
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Stabilization of Cr-contaminated soil with geopolymer binder under oleic acid and glycerol Co-contamination

Chonggen Pan, Yuxin Huang, Yajun Li, Zhigao Wei, Jiawei Zang and Xiao Cheng

Innov. Infrastruct. Solut., 2026, 11
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Molecular-level regulation strategies for charge separation in conjugated polymer/polymeric carbon nitride heterojunction enabling efficient uranium photoreduction

Jialiang Kang, Jianli Ouyang, Fengtao Yu, Zhiyong Chen, Fangru Song, Ruping Liang and Jianding Qiu

Journal of Solid State Chemistry, 2025, 344, 125173
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Forecasting wholesale prices of yellow corn through the Gaussian process regression

Bingzi Jin and Xiaojie Xu

Neural Comput & Applic, 2024, 36, 8693
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Predicting open interest in thermal coal futures using machine learning

Bingzi Jin and Xiaojie Xu

Miner Econ, 2025, 38, 795
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Predicting the Trading Volume of the Thermal Coal Futures Through Gaussian Process Regressions

Bingzi Jin and Xiaojie Xu

J. Uncert. Sys., 2026, 19
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Machine learning natural gas price predictions

Bingzi Jin and Xiaojie Xu

Energy. Sci., 2025, 01
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Investigation of ion transport in plasticized polymer electrolytes using electrical equivalent circuit (EEC) modeling

Ranjdar M. Abdullah

J Mater Sci: Mater Electron, 2024, 35
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Rental price index forecasts of residential properties using Gaussian process regressions

Bingzi Jin and Xiaojie Xu

Journal of Financial Management of Property and Construction, 2025, 30, 416
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Molecular dynamics study on the atomic configuration evolution and suppression of shear bands for Zr-based metallic glass during cutting processing

Yin Liu, Cuiping Li, Fei Pan, Xingwei Sun, Haosheng Dong, Weifeng Zhang, Hongxun Zhao, Shibo Mu, Zhenshan Luo and Zewei Yuan

Appl. Phys. A, 2025, 131
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Forecasts of wholesale food price indices through Gaussian process regressions

Bingzi Jin and Xiaojie Xu

Int. J. Math. Ind., 2025, 17
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Physics-based inverse modelling of dichroic glass: machine learning emulation of the lycurgus cup

Emre Burak Ertuş

Appl. Phys. A, 2026, 132
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History of chatbots and their emerging applications in textiles, polymers, and sustainability

Md. Al-Amin, Md Emdad Hossain, Mohammad Shazed Ali, Abdus Salam, Ashraf Ali, Ahsan Ullah, Nur Alam, Mst Nasrin Akhter and Syed Abrab Mahmood

Sustainable Materials and Technologies, 2026, 48, e01967
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Insight into magnetic characteristics and magnetization plateaus of the metal-coordinated polymer [Dy2Cu2]n

Yi-ran Liu, Dan Lv, Wei Wang, Bo-chen Li and Gong-zhao Liu

Appl. Phys. A, 2026, 132
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Machine learning in polymer science: A new lens for physical and chemical exploration

Xiaoqin Cao, Yongqing Zhang, Zhenghua Sun, Hongyao Yin and Yujun Feng

Progress in Materials Science, 2026, 156, 101544
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Pre-owned housing price index forecasts using Gaussian process regressions

Bingzi Jin and Xiaojie Xu

JM2, 2024, 19, 1927
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An empirical investigation of Lijiang’s residential property valuation in China using an integrated framework with Gaussian process regression and Bayesian hyperparameter tuning

Bingzi Jin and Xiaojie Xu

Innov. Emerg. Technol., 2025, 12
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A Gaussian process regression machine learning model for forecasting retail property prices with Bayesian optimizations and cross-validation

Xiaojie Xu and Yun Zhang

Decision Analytics Journal, 2023, 8, 100267
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Machine learning scrap steel price forecasts for the regional east Chinese market

Bingzi Jin and Xiaojie Xu

Journal of Modelling in Management, 2025, 20, 2086
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Predictions of steel price indices through machine learning for the regional northeast Chinese market

Bingzi Jin and Xiaojie Xu

Neural Comput & Applic, 2024, 36, 20863
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Atomistic understanding of the impact of radiation on the aqueous leaching of sodium borosilicate glass matrix

Pooja Sahu and Sk. Musharaf Ali

npj Mater Degrad, 2026, 10
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Recent advances in utility of artificial intelligence towards multiscale colloidal based materials design

Aref Abbasi Moud

Colloid and Interface Science Communications, 2022, 47, 100595
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An innovative approach to upscale low-salinity polymer flooding in heterogeneous sandstone reservoirs: Application of particle swarm optimization and automated history matching

Razieh Khosravi, Mohammad Simjoo and Mohammad Chahardowli

Results in Engineering, 2025, 26, 104761
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Machine learning-based forecasts of residential property prices in Hangzhou City, Zhejiang Province, China

Bingzi Jin and Xiaojie Xu

Neural Comput & Applic, 2025, 37, 4971
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Processing-integrated Machine Learning Models for Predicting and Optimizing Mechanical Properties of Polyimides

Wei-Long Hu, Hao-Ke Qiu, En-Zhe Jing, Wan-Chen Zhao, Hai-Yang Huo and Zhao-Yan Sun

Chin J Polym Sci, 2026
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Employing Gaussian process regression with Bayesian inference to predict the living-materials producer price index in China

Bingzi Jin and Xiaojie Xu

Qual Quant, 2025, 60, 4091
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Machine learning predictions of band gap and band edge for (GaN)1−x(ZnO)x solid solution using crystal structure information

Jingcheng Xu, Qianli Wang, Quan Yuan, Huilin Chen, Shunyao Wang and Yang Fan

J Mater Sci, 2023, 58, 7986
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Machine learning platinum price predictions

Bingzi Jin and Xiaojie Xu

The Engineering Economist, 2025, 70, 30
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A systematic review of recent advances in the application of machine learning in membrane-based gas separation technologies

Farideh Abdollahi, Arash Khosravi, Seçkin Karagöz and Ahmad Keshavarz

Applied Energy, 2025, 381, 125203
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Deriving new closed-form solitary waves of nonlinear model occurring in mass transport and particle diffusion and their dynamical behaviors

Muhammad Imran Asjad, Hira Ashiq, Nadia Cheemaa, Umair Asghar and Marei S. Alqarni

Appl. Phys. A, 2025, 131
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Office real estate price index forecasts through Gaussian process regressions for ten major Chinese cities

Bingzi Jin and Xiaojie Xu

Adv. in Comp. Int., 2024, 4
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Discovery of ester lubricants with low coefficient of friction on material surface via machine learning

Zhongyu Wan, Quan-De Wang, Dongchang Liu and Jinhu Liang

Chemical Physics Letters, 2021, 773, 138589
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Physically informed machine learning-enhanced DEM parameter calibration for cohesive wet coal

Fusheng Niu, Zhiheng Nie, Jinxia Zhang, Yaowen Xing, Yijun Cao, Xinwei Wang, Jianfeng Shi and Jiahui Wu

Powder Technology, 2026, 467, 121523
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Understanding and Modeling Polymers: The Challenge of Multiple Scales

Friederike Schmid

ACS Polym. Au, 2023, 3, 28
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Forecasts of thermal coal prices through Gaussian process regressions

Bingzi Jin and Xiaojie Xu

Ironmaking & Steelmaking: Processes, Products and Applications, 2024, 51, 819
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Synthesis and characterization of PVA capped SnSe for IR sensor and piezo-resistive sensor applications

C. K. Tandel, P. P. Desai, T. R. Jariwala, N. N. Prajapati, Yash N. Doshi, Adhish V. Raval, P. B. Patel, H. N. Desai, Dimple V. Shah, J. M. Dhimmar and B. P. Modi

J Mater Sci: Mater Electron, 2024, 35
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Simple machine learning model for the glass transition temperatures of hydrated polymers

Shin-nosuke Nishimura, Yuta Kashihara and Tomoyuki Koga

Polym J, 2025, 57, 225
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Steel price index forecasts through machine learning for northwest China

Bingzi Jin and Xiaojie Xu

Miner Econ, 2025, 38, 811
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Thermal Conductivity of Nanofluids: A Review on Prediction Models, Controversies and Challenges

Inês Gonçalves, Reinaldo Souza, Gonçalo Coutinho, João Miranda, Ana Moita, José Eduardo Pereira, António Moreira and Rui Lima

Applied Sciences, 2021, 11, 2525
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Sustainable tri polymer solid electrolytes from ghatti and xanthan gums for energy storage applications

S. Snekha, D. Vanitha, K. Sundaramahalingam, A. Shameem and N. Nallamuthu

J Mater Sci: Mater Electron, 2025, 36
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Predicting the material removal rate during electrical discharge diamond grinding using the Gaussian process regression: a comparison with the artificial neural network and response surface methodology

Yun Zhang and Xiaojie Xu

Int J Adv Manuf Technol, 2021, 113, 1527
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Forecasts of share prices for China with machine learning

Bingzi Jin and Xiaojie Xu

J. Finan. Eng., 2025, 12
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On the Development of Descriptor-Based Machine Learning Models for Thermodynamic Properties: Part 1—From Data Collection to Model Construction: Understanding of the Methods and Their Effects

Cindy Trinh, Youssef Tbatou, Silvia Lasala, Olivier Herbinet and Dimitrios Meimaroglou

Processes, 2023, 11, 3325
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Adsorption performance and mechanism of EDTA-modified Cr0.1Fe2.9O4/rGO aerogel for Cu2+ and Ni2+

Yongsheng Qiao, Saiya Zhang, Ning Ou and Lazhen Shen

Journal of Solid State Chemistry, 2025, 350, 125523
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QC-Augmented NN/GNN for Few-Shot Prediction of Amorphous Polymer Properties Via Multi-Scale Microstructures

Yi-Wen Zhang, Zihao Ye, Dejun Hu, Shutao Qi, Zuobang Sun, Junfeng Yang, Yan Ma, Wayne Zhang, Junliang Zhang and Zhiming Li

ACS Appl. Polym. Mater., 2025, 7, 12176
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Predicting Polymers’ Glass Transition Temperature by a Chemical Language Processing Model

Guang Chen, Lei Tao and Ying Li

Polymers, 2021, 13, 1898
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Forecasting Residential Real Estate Prices via Machine Learning for Taizhou City of Zhejiang Province in China

Bingzi Jin and Xiaojie Xu

J. Urb. Fut., 2025, 01
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AlCl3-modified ZSM-5(4T)@NH2-MIL-53(Al) core-shell catalyst for catalytic synthesis of dimethyldichlorosilane: A DFT study on the disproportionation mechanism

Wenyuan Xu, Linhong Bao, Kehan Wu, Yuquan Wang, Zejing Chen, Xi Chen, Siqi Liu, Zhili Fang and Wenling Zha

Journal of Solid State Chemistry, 2025, 350, 125448
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Polymer graph neural networks for multitask property learning

Owen Queen, Gavin A. McCarver, Saitheeraj Thatigotla, Brendan P. Abolins, Cameron L. Brown, Vasileios Maroulas and Konstantinos D. Vogiatzis

npj Comput Mater, 2023, 9
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Microscopic structure of lead-silicate glass and its correlation with thermal, mechanical, and radiation shielding properties

Pooja Sahu and Musharaf Ali Sheikh

Appl. Phys. A, 2025, 131
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Ring Repeating Unit: An Upgraded Structure Representation of Linear Condensation Polymers for Property Prediction

Mengxian Yu, Yajuan Shi, Qingzhu Jia, Qiang Wang, Zheng-Hong Luo, Fangyou Yan and Yin-Ning Zhou

J. Chem. Inf. Model., 2023, 63, 1177
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Bayesian-Optimized Gaussian Process Calibration for Forecasting Carbon Allowance Prices in Tianjin

Bingzi Jin and Xiaojie Xu

Int. J. Artif. Intell. Robot. Res., 2025, 02
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Predicting Scrap Steel Prices Through Machine Learning for South China

Bingzi Jin and Xiaojie Xu

Mater Circ Econ, 2025, 7
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Machine learning Brent crude oil price forecasts

Bingzi Jin and Xiaojie Xu

Innov. Emerg. Technol., 2024, 11
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Synergistic Integration of MXenes with Conducting Polymers to Enhance the Specific Capacitance of Asymmetric Supercapacitors

Muniba Ahmad, Ahmed Shuja, Imran Murtaza, Shah Fahad and Muhammad Shahid Khan

J Mater Sci: Mater Electron, 2025, 36
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Standardized repeating unit definition enhances deep learning prediction of glass transition temperatures in polyimides

Xinliang Yu

Chemical Physics, 2026, 606, 113127
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Negative dielectric and inductive behavior in Au/n-Si diodes with Ni-doped PVP interlayers

I. M. Afandiyeva, E. R. Bakhtiyarli, S. Altındal Yerişkin and Sabreen A. Hameed

J Mater Sci: Mater Electron, 2026, 37
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Analysis and evaluation of machine learning applications in materials design and discovery

Mahsa Golmohammadi and Masoud Aryanpour

Materials Today Communications, 2023, 35, 105494
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Machine learning price index forecasts of flat steel products

Bingzi Jin and Xiaojie Xu

Miner Econ, 2025, 38, 97
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Predictions of residential property price indices for China via machine learning models

Bingzi Jin and Xiaojie Xu

Qual Quant, 2025, 59, 1481
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Machine-learning for capacitive energy storage polymer dielectrics: opportunities and challenges

Minzheng Yang, Chaofan Wan, Runlin Liu, Junshang Zhang, Zhonghui Shen, Ce-Wen Nan and Yang Shen

Progress in Materials Science, 2026, 160, 101678
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Machine learning‐based model for predicting the material properties of nanostructured aerogels

Omid Aghababaei Tafreshi, Zia Saadatnia, Shahriar Ghaffari‐Mosanenzadeh, Sogand Okhovatian, Chul B. Park and Hani E. Naguib

SPE Polymers, 2023, 4, 24
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Machine learning glass transition temperature of polymethacrylates

Yun Zhang and Xiaojie Xu

Molecular Crystals and Liquid Crystals, 2021, 730, 9
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Forecasting Scrap Steel Prices via Machine Learning for the Central Chinese Market

Bingzi Jin and Xiaojie Xu

Int. J. Artif. Intell. Robot. Res., 2025, 02
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Forecasts of coking coal futures price indices through Gaussian process regressions

Bingzi Jin and Xiaojie Xu

Miner Econ, 2025, 38, 203
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Dielectric and electrical enhancement of niobium pentoxide and vanadium pentoxide scattered in Poly-vinyl alcohol for electrical applications

Amani Saleh Almuslem

J Mater Sci: Mater Electron, 2025, 36
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Effect of fabric covers on heat and moisture transfer in three-dimensionally printed TPU and EVA foams for clothing applications

Sungeun Kwon, Sunghyun Kwon, Heeran Lee and Murali Subramaniyam

Int J Interact Des Manuf, 2026, 20, 2925
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Decision tree model to efficiently optimize the process conditions of carbonaceous mesophase prepared with coal tar

Chunru Zhou, Peng Wu, Xinyuan Xu and Weina Song

Carbon Lett., 2023, 33, 419
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FORECASTS OF WHOLESALE SOYBEAN OIL PRICE INDICES VIA GAUSSIAN PROCESS REGRESSIONS

BINGZI JIN and XIAOJIE XU

Int. J. Big Data Mini. Glob. Warm., 2025, 07
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Catalyze Materials Science with Machine Learning

Jaehyun Kim, Donghoon Kang, Sangbum Kim and Ho Won Jang

ACS Materials Lett., 2021, 3, 1151
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Machine Learning Green Gram Price Predictions

Bingzi Jin and Xiaojie Xu

Mater Circ Econ, 2025, 7
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Machine learning predictions of regional steel price indices for east China

Bingzi Jin and Xiaojie Xu

Ironmaking & Steelmaking: Processes, Products and Applications, 2025, 52, 368
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Atomic nonclassical correlation dynamics induced by open resonance qubit-cavity interactions: Kerr-like medium and Stark shifts effects

H. Allhibi, F. Aljuaydi, M. Mansour and A.-B. A. Mohamed

Appl. Phys. A, 2025, 131
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Machine learning wholesale white wheat price index forecasts

Bingzi Jin and Xiaojie Xu

Qual Quant, 2025, 60, 277
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PVA/SiO2 nanocomposite films for photovoltaic cover glass

Rasheed Lateef Jawad, Duha Ismail Khalil, Reyam H. Marah and Bassam Thaban

J Polym Res, 2026, 33
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Predicting glass transition temperatures for structurally diverse polymers

Xinliang Yu

Colloid Polym Sci, 2025, 303, 1287
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Machine Learning Cotton Price Forecasts Based on Gaussian Process Regression Models with Hyper-parameters Tuned Through Bayesian Optimization and Cross Validation

Bingzi Jin and Xiaojie Xu

Mater Circ Econ, 2025, 7
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