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RESEARCH PAPER · Nano Today · 2023

Machine learning accelerates the investigation of targeted MOFs: Performance prediction, rational design and intelligent synthesis

Jing Lin, Zhimeng Liu, Yujie Guo, Shulin Wang, Tao Zhang, Xiangdong Xue, Rushuo Li, Shihao Feng, Linmeng Wang, Jiangtao Liu, Hongyi Gao, Ge Wang, Yanjing Su

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Machine learning accelerates the investigation of targeted MOFs: Performance prediction, rational design and intelligent synthesisOriginalUnderstanding ZIF particle chemical etching dynamics and morphology manipulation: in situ liquid phase electron microscopy and 3D electron tomography application14Artificial intelligence assisted with designing metal‐organic frameworks (MOFs)17Defective metal–organic framework derived from the waste plastic bottles for rapid and efficient nitroimidazole antibiotics removal483D-printed microfluidic system for the in situ diagnostics and screening of nanoparticles synthesis parameters16Organic pollutants removal from aqueous solutions using metal-organic frameworks (MOFs) as adsorbents: A review93Carbon dioxide capturing activities of porous metal-organic frameworks (MOFs)41Analysis of photocatalytic CO 2 reduction over MOFs using machine learning42Leveraging machine learning in porous media89Utilizing Data Mining for the Synthesis of Functionalized Tungsten Oxide with Enhanced Oxygen Vacancies for Highly Sensitive Detection of Triethylamine21Deep learning and big data mining for Metal–Organic frameworks with high performance for simultaneous desulfurization and carbon capture29Biomass-MOF composites in wastewater treatment, air purification, and electromagnetic radiation adsorption – A review75Machine Learning Strategies for Forecasting Discharge Capacity in Lithium-Ion Batteries with NCM Layered Cathode Material1Single‐crystal‐to‐single‐crystal transformation of a two‐dimensional noninterpenetrated layer to a microporous three‐dimensional fourfold interpenetrated MOF triggered by DMF3Design and preparation of a multi-responsive Cd-based fluorescent coordination polymer for smart sensing of nitrobenzene and ornidazole15Different applications of machine learning approaches in materials science and engineering: Comprehensive review68Machine Learning Assisted Discovery of Efficient MOFs for One-Step C2H4 Purification from Ternary C2H2/C2H4/C2H6 Mixtures3Soliton emissions at 1.59 and 1.95 μm utilizing nickel-trimesic acid metal-organic framework saturable absorber5Porous materials0Inverse mapping of quantum properties to structures for chemical space of small organic molecules18Recent development of metal-organic frameworks and their composites in electromagnetic wave absorption and shielding applications114Enhancing arsenate removal through interpretable machine learning guiding the modular design of metal–organic frameworks23Machine‐learning‐assisted intelligent synthesis of UiO‐66(Ce): Balancing the trade‐off between structural defects and thermal stability for efficient hydrogenation of Dicyclopentadiene40Metal–Organic Frameworks through the Lens of Artificial Intelligence: A Comprehensive Review46Automated synthesis and processing of functional nanomaterials: Advances and perspectives27Hydrothermal bio-oil yield and higher heating value of high moisture and lipid biomass: Machine learning modeling and feature response behavior analysis19Hierarchically ordered truncated single crystal mesoporous ZIF-8 as a solid platform for lipase immobilization11Engineering the Invisible2Innovative Approaches to Water Purification Harnessing Bio-Chemical Adsorbents for Multistage Potable Water Filtration3Machine Learning-Driven Advances in Metal-Organic Framework Nanomaterials for Wastewater Treatment: Developments and Challenges27Weaving the gates of life: Pioneering a new era in oral gene delivery with metal-organic frameworks17Comprehensive overview of machine learning applications in MOFs: from modeling processes to latest applications and design classifications26Accelerating discovery of glass materials in electronic devices through topology-guided machine learning3An explainable “family bucket” model for simultaneous prediction of K-edge XANES for multiple light transition metals3Highly effective microporous and mesoporous metal–organic frameworks for effective ivermectin adsorption in water treatment and delivery systems5Synergistic regulation of the Co microenvironment in MOF-74 for olefin epoxidation via lanthanum modification and defect engineering9Unlocking new horizons, challenges of integrating machine learning to energy conversion and storage research9Deep learning-assisted methods for accelerating the intelligent screening of novel 2D materials: New perspectives focusing on data collection and description6Dual-Stage Stacking Machine Learning Method Considering Virtual Sample Generation for the Prediction of ZIF-8′ BET Specific Surface Area with Experimental Validation5An Intelligent Prediction Model for the Synthesis Conditions of Metal–Organic Frameworks Utilizing Artificial Neural Networks Enhanced by Genetic Algorithm Optimization12A Multi-Method Approach to Analyzing MOFs for Chemical Warfare Simulant Capture: Molecular Simulation, Machine Learning, and Molecular Fingerprints9Metal–Organic Frameworks: Synthesis Methods and Multifunctional Applications30Technoeconomic Insights into Metal Hydrides for Stationary Hydrogen Storage38Industrialising Metal–Organic Frameworks─Bridging Laboratory Innovation and Future Applications39Advancing Metal–Organic Framework‐Based Composites for Effective Chemical Warfare Agent Detoxification under Real‐World Conditions67Machine-Learning-Assisted Synthesis of Bimetallic Metal–Organic Frameworks for the Optimized Oxygen Evolution Reaction21Microfluidic synthesis of MOFs, COFs, and HOFs: Insights and advances41Symmetry is the Key to the Design of Reticular Frameworks5Machine learning-guided design of metal-organic frameworks for efficient H2S/CH4 separation4Metal-organic frameworks-based photoelectrochemical Biosensors: From material design to intelligent detection12Synergistic Acceleration of Adsorbent Material Development by DFT and ML for CO 2 Capture5Machine Learning in the Design and Performance Prediction of Organic Framework Membranes: Methodologies, Applications, and Industrial Prospects18Conversational Large-Language-Model Artificial Intelligence Agent for Accelerated Synthesis of Metal–Organic Frameworks Catalysts in Olefin Hydrogenation36Towards a sustainable hydrogen-rich syngas production by methane dry reforming: Advances in catalyst synthesis and optimization strategies10Metal-organic frameworks for electrochemical glucose sensors: progress and challenges34A critical review on integrated fabric-based functionalized composites for protection and decontamination of chemical and biological warfare agents5Predicting and evaluating synthesis factors responsible for the property of silica aerogel using ensemble learning: Experiment verification and mechanism elaboration2From Molecules to Machines: A Multiscale Roadmap to Intelligent, Multifunctional Soft Robotics47Accelerating the discovery and optimization of metal-organic framework materials via machine learning64Microenvironment modulation of metal-organic frameworks for catalytic hydrogenation reaction2Design Guidelines for MOFs in CF4/NF3 Separation Based on Feature Selection with Stacking Ensemble Model0AI-driven design of powder-based nanomaterials for smart textiles: from data intelligence to system integration27Hydrophobic metal–organic frameworks and membranes for enhanced carbon capture14Explore the application potential of nanoporous material-based membrane separation technology in the energy sector1Harnessing machine learning for energy optimization and intelligent process control in wastewater treatment1Mitochondria-Targeted Fluorescent Probes: Bridging Molecular Innovation and Disease Diagnosis7Machine learning accelerates the development of metal–organic frameworks0Advances and challenges of ZIF-based nanocomposites in immunotherapy and anti-inflammatory therapy8Synthesis and application of micro/nano metal organic frameworks with an eye toward the future by AI0Mechanistic Insights Into One‐Pot Unsaturated Hydrocarbon Hydrogenation/Isomerization: DFT and DTW‐Guided Design of Homomeric High‐Density FLPs and Metal‐Oxygen Electronic Regulation in Multimetal‐Doped MOFs2AI-guided Design of Metal-Organic Frameworks and Integrated Sensing Platforms for Food Safety Intelligent Detection10Accelerating transferable screening of hydrogen storage materials in single- and bimetallic-doped graphene1Automated symphony: Intelligent manufacturing systems and unmatched efficiency0Data-driven strategies for decoding structure–reactivity relationships in porous electrocatalysis0Host–guest adsorption energetics in functionalized UiO-66 nanocrystals for selective VOC sensing2Mixed-ligand-engineered porphyrinic MOFs for synergistic charge separation and oxygen activation in photocatalytic tetracycline degradation0Synergistic local hydrogen confinement and spillover over Pd@ZIF-8-AT enables mild-condition hydrogenation of dicyclopentadiene0Electroactive Zr-MOFs for sustainable anaerobic valorization of waste activated sludge2Frameworks for the Future: Metal Organic Frameworks and their Composites based solutions for Hydrogen Storage3Extracting and reconstructing knowledge in materials science literature using large language models10Applications of machine learning-based quantitative structure activity relationship (ML-QSAR) models in environmental science7Nanoscale coordination polymers: synthesis, characterization, and emerging biomedical applications2A review of machine learning applications in PFAS environmental behavior and risk management0Harnessing confinement effect and interpretable machine learning to predict alkane diffusion in zeolite catalysts3Synergistic Engineering of UiO-66 Frameworks via Compositional Tuning and Surface Wettability toward Enhanced Tribological Performance0Metal-Organic Frameworks (MOFs) and Future Applications0MOF‐Based Materials for Alkaline Hydrogen Evolution Reaction: From Mechanism Foundation to Catalyst Design0Comparative analysis of advanced materials for direct air capture of CO20Computational and AI-Assisted Rational Design of MOF-Based Catalysts for DCPD Hydrogenation0Engineering superhydrophobic surfaces with metal-organic frameworks (MOFs): Design principles, fabrication, and multifunctional applications0Reticular framework architectures for coagulation-flocculation and colloidal separation: Mechanistic insights, structure-performance correlation, and AI-guided discovery0Computational Insights into Catalytic Hydrogenation over M6O8-Node MOFs: From Active-Site Engineering to Data-Driven Catalyst Design0Deciphering the water-thermal stability trade-offs via interpretable machine learning for reliable design of dual-stable MOFs0Machine learning-driven high-throughput prediction of Hg0 capture in MOFs and decipherment of structure-property relationships0Predicting hydroxyl radical rate constants in water using a random forest model on a large dataset0

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