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RESEARCH PAPER · Chemical Reviews · 2023

Converting Nanotoxicity Data to Information Using Artificial Intelligence and Simulation

Xiliang Yan, Tongtao Yue, David Alan Winkler, Yongguang Yin, Hao Zhu, Guibin Jiang, Bing Yan

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Converting Nanotoxicity Data to Information Using Artificial Intelligence and SimulationOriginalHeterogeneous aggregation of carbon and silicon nanoparticles with benzo[a]pyrene modulates their impacts on the pulmonary surfactant film11Nanoplastics induce neuroexcitatory symptoms in zebrafish (Danio rerio) larvae through a manner contrary to Parkinsonian's way in proteomics23Human and environmental safety of carbon nanotubes across their life cycle138The nanosafety assessment of ENMs under a dermal exposure scenario: from key molecular events to in silico modeling tools8Computer-aided nanodrug discovery: recent progress and future prospects41Emerging Technology and Future Directions in Environmental Nanotoxicology3Nanoparticles traversing the extracellular matrix induce biophysical perturbation of fibronectin depicted by surface chemistry6Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered Nanomaterials61Expanding the Horizons of Machine Learning in Nanomaterials to Chiral Nanostructures74Predicting zeta potential of liposomes from their structure: A nano-QSPR model for DOPE, DC-Chol, DOTAP, and EPC formulations31Deep learning-assisted flavonoid-based fluorescent sensor array for the nondestructive detection of meat freshness49Structural engineering of magnetite nanozymes for enhanced chemodynamic cancer therapy19Emerging trends and future challenges of advanced 2D nanomaterials for combating bacterial resistance50Building species trait-specific nano-QSARs: Model stacking, navigating model uncertainties and limitations, and the effect of dataset size19Prediction of electronic density of states in guanine-TiO 2 adsorption model based on machine learning7Protein Coronas Derived from Cerebrospinal Fluid Enhance the Interactions Between Nanoparticles and Brain Cells3Design strategies, advances and future perspectives of colon-targeted delivery systems for the treatment of inflammatory bowel disease29Balancing the Functionality and Biocompatibility of Materials with a Deep-Learning-Based Inverse Design Framework7Interpretable Causal System Optimization Framework for the Advancement of Biological Effect Prediction and Redesign of Nanoparticles12Application of Machine Learning in Nanotoxicology: A Critical Review and Perspective32An Online Nanoinformatics Platform Empowering Computational Modeling of Nanomaterials by Nanostructure Annotations and Machine Learning Toolkits20Impact of Artificial Intelligence on Drug Development and Delivery41Toward the Integration of Machine Learning and Molecular Modeling for Designing Drug Delivery Nanocarriers122Rational Design of Lipid Nanoparticles for Enhanced mRNA Vaccine Delivery via Machine Learning50Free energy calculations in biomolecule-nanomaterial interactions8Twenty years of in vitro nanotoxicology: how AI could make the difference40The synergy of artificial intelligence and nanotechnology towards advancing innovation and sustainability - A mini-review116De novo Design of Biocompatible Nanomaterials Using Quasi-SMILES and Recurrent Neural Networks13Nanotoxicology: developments and new insights32AI-based nanotoxicity data extraction and prediction of nanotoxicity43Data science in chemical engineering1Interactions of nanoparticles with living and synthetic bio-membranes21MSF-CPMP: A novel multi-source feature fusion model for prediction of cyclic peptide membrane permeability3Nanoparticle Association with Brain Cells Is Augmented by Protein Coronas Formed in Cerebrospinal Fluid4Common issues of data science on the eco-environmental risks of emerging contaminants10Well‐Defined Nanostructures: Concept, Impact and Perspective3Risk assessment of industrial chemicals towards salmon species amalgamating QSAR, q-RASAR, and ARKA framework13Nanodrug Delivery Systems for Acute Lymphoblastic Leukemia Therapy2Explicating the transformative role of artificial intelligence in designing targeted nanomedicine43Game Changers: Blockbuster Small-Molecule Drugs Approved by the FDA in 202416Machine learning reshapes the paradigm of nanomedicine research39Toxicity of Engineered Nanoparticles in Food: Sources, Mechanisms, Contributing Factors, and Assessment Techniques19Decoding Chiral Interactions: Molecular Insights into the Selective Binding of Nanoparticles at Biological Interfaces7Unraveling the ecotoxicity of micro(nano)plastics loaded with environmental pollutants using ensemble machine learning19In-silico strategies in nano-drug design: Bridging nanomaterials and pharmacological applications46Applications of Artificial Intelligence in Biotech Drug Discovery and Product Development32Biomaterials and biosensing technologies in the detection and removal of pesticide residues: Current trends and future prospects16Artificial intelligence for nanomedicine15Bench-to-bedside translation of podophyllotoxin-based nanomedicines for cancer treatment: utopias and reality?8Smart Nanomedicines for Neurodegenerative Diseases: Empowering New Therapies with Molecular Imaging and Artificial Intelligence6The emerging role of machine learning in nanomaterials research: applications, challenges, and future directions8A Brief Review on the Exploration of Nanocomposites and Their Properties Through Computational Methods for Biological Activity Evaluation2Recent progress of nanomaterials for diagnosis and treatment of rejection in heart transplantation0Emerging Technologies and Integrated Interdisciplinary Strategies for Mitigating Protein Aggregation in Therapeutic Formulations1Atom-level descriptors and explainable prediction of iron carbide nanoparticles' cytotoxicity via the Enalos Cloud platform0The Ballet of Natural-Product: Carrier-Free “Triadic” Drug Delivery Platforms for Enhanced Tumor Treatment7Silver integrated hybrids and nanocomposites for next-generation biomedicine: Beyond antimicrobial coatings toward smart sense–response–heal platforms16Recent Advances of Artificial Intelligence in Aquatic Bioindicators and Ecological Assessment3Large-Scale Meta-Analysis of Nanomaterials Toxicity Based on Natural Language Processing of Scientific Articles7Predicting Nanotoxicity across Materials Using Interpretable Machine Learning and Descriptors Based on the Periodic Table0Artificial intelligence-powered nanomedicine29Automated Large-Scale Extraction of Nanotoxicity Data from the Literature Using Multimodal Large Language Models1Nanotoxicological evaluation of surface engineered WS 2 quantum dots in male and female Wistar rats for targeted nucleus imaging and photothermal therapy0The importance of nano–bio interfacial design in the sensing performance of nanoparticle-based affinity biosensors9Optimized Lipid Nanoparticles for Co‐Delivery of mRNA and siRNA Therapeutics in Refractory Liver Cancer11Synergies between data science methods and innovative drug delivery technologies0Predictive and Mechanism-Based Toxicity Evaluation of Engineered Nanoparticles1AI-driven nanomedicine for cancer theranostics30Polysaccharide-functionalized gold, silver, and iron oxide nanoparticles for siRNA delivery: The role of artificial intelligence in design and optimization5Microfluidic electroporation for drug and gene delivery: Driving innovation from single-cell precision to high-throughput preclinical and therapeutic platforms7Harmonizing ecotoxicological data reporting: A guide for toxicologists and chemists0Molecular modelling–driven formulation design for targeted pulmonary drug delivery2Molecular Insights into Ocular Exposure Risk of Indoor Smoke Components on the Tear Film0Modulation strategies of nanozyme activity applied to food quality and safety analysis: From rational design to intelligent assistance1Smart Nanoparticles and Artificial Intelligence in Theranostics: Targeted Drug Delivery and Diagnostic Imaging0Data-Driven Engineering of Antimicrobial Nanomaterials for Food Safety and Biomedical Systems8Smart Nano-Antibiotics: AI-Guided Stimuli-Responsive Nanoplatforms for Precision Antimicrobial Therapy2Integrative multi-omics approaches in green nanoparticle-based pharmaceutical research: a systematic review of metabolomic, proteomic, and transcriptomic advances1Fusing generative AI and ML-FFs for inverse design and high-fidelity dynamic simulation of fused-ring aromatic hydrocarbons4Integrating Functional Genomic Descriptors into Explainable Machine-Learning Models for Cross-Aquatic Species Prediction of Metal-Containing Nanomaterials Ecotoxicity0MCCX: Combining Monte Carlo, Convolutional Neural Networks and Boosting in Predicting Nanoparticle Viability0Insights into the use of artificial intelligence in the drug discovery and delivery of nanosystems for the treatment of infectious diseases and neoplasms0Bridging Nano-Interface Interactions and Organ-Specific Toxicity: A Review of Machine Learning for Nanomaterials Risk Assessment0Artificial intelligence in soil ecotoxicology: A critical review and perspective on micro/nanoplastic exposure to earthworms0From experimental toxicity to computational prediction: a critical assessment of reliability, uncertainty, and applicability domains for graphene-family nanomaterials0

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  1. Heterogeneous aggregation of carbon and silicon nanoparticles with benzo[a]pyrene modulates their impacts on the pulmonary surfactant film

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  2. Nanoplastics induce neuroexcitatory symptoms in zebrafish (Danio rerio) larvae through a manner contrary to Parkinsonian's way in proteomics

    The Science of The Total Environment · 2023-09-06

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  3. Human and environmental safety of carbon nanotubes across their life cycle

    Nature Reviews Materials · 2023-11-23

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  4. The nanosafety assessment of ENMs under a dermal exposure scenario: from key molecular events to in silico modeling tools

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  5. Computer-aided nanodrug discovery: recent progress and future prospects

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  6. Emerging Technology and Future Directions in Environmental Nanotoxicology

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  7. Nanoparticles traversing the extracellular matrix induce biophysical perturbation of fibronectin depicted by surface chemistry

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  8. Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered Nanomaterials

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  9. Expanding the Horizons of Machine Learning in Nanomaterials to Chiral Nanostructures

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    Vera A. Kuznetsova, Áine Coogan, Dmitry Botov, Yulia A. Gromova, Elena V. Ushakova, Yurii K. Gun’ko

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  10. Predicting zeta potential of liposomes from their structure: A nano-QSPR model for DOPE, DC-Chol, DOTAP, and EPC formulations

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  11. Deep learning-assisted flavonoid-based fluorescent sensor array for the nondestructive detection of meat freshness

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  12. Structural engineering of magnetite nanozymes for enhanced chemodynamic cancer therapy

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  13. Emerging trends and future challenges of advanced 2D nanomaterials for combating bacterial resistance

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  14. Building species trait-specific nano-QSARs: Model stacking, navigating model uncertainties and limitations, and the effect of dataset size

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  16. Protein Coronas Derived from Cerebrospinal Fluid Enhance the Interactions Between Nanoparticles and Brain Cells

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  17. Design strategies, advances and future perspectives of colon-targeted delivery systems for the treatment of inflammatory bowel disease

    Asian Journal of Pharmaceutical Sciences · 2024-07-14

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  18. Balancing the Functionality and Biocompatibility of Materials with a Deep-Learning-Based Inverse Design Framework

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  19. Interpretable Causal System Optimization Framework for the Advancement of Biological Effect Prediction and Redesign of Nanoparticles

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  20. Application of Machine Learning in Nanotoxicology: A Critical Review and Perspective

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  21. An Online Nanoinformatics Platform Empowering Computational Modeling of Nanomaterials by Nanostructure Annotations and Machine Learning Toolkits

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  22. Impact of Artificial Intelligence on Drug Development and Delivery

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  23. Toward the Integration of Machine Learning and Molecular Modeling for Designing Drug Delivery Nanocarriers

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  24. Rational Design of Lipid Nanoparticles for Enhanced mRNA Vaccine Delivery via Machine Learning

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  30. AI-based nanotoxicity data extraction and prediction of nanotoxicity

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  33. MSF-CPMP: A novel multi-source feature fusion model for prediction of cyclic peptide membrane permeability

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  34. Nanoparticle Association with Brain Cells Is Augmented by Protein Coronas Formed in Cerebrospinal Fluid

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  49. Bench-to-bedside translation of podophyllotoxin-based nanomedicines for cancer treatment: utopias and reality?

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