标题
Practices and Trends of Machine Learning Application in Nanotoxicology
作者
关键词
-
出版物
Nanomaterials
Volume 10, Issue 1, Pages 116
出版商
MDPI AG
发表日期
2020-01-08
DOI
10.3390/nano10010116
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Meta-Analysis of Nanoparticle Cytotoxicity via Data-Mining the Literature
- (2019) Hagar I. Labouta et al. ACS Nano
- Application of Bayesian networks in determining nanoparticle-induced cellular outcomes using transcriptomics
- (2019) Irini Furxhi et al. Nanotoxicology
- The impact of class imbalance in classification performance metrics based on the binary confusion matrix
- (2019) Amalia Luque et al. PATTERN RECOGNITION
- Bayesian Network Resource for Meta-Analysis: Cellular Toxicity of Quantum Dots
- (2019) Muhammad Bilal et al. Small
- Identification and description of the uncertainty, variability, bias and influence in quantitative structure-activity relationships (QSARs) for toxicity prediction
- (2019) Mark T.D. Cronin et al. REGULATORY TOXICOLOGY AND PHARMACOLOGY
- Workshop on the validation and regulatory acceptance of innovative 3R approaches in regulatory toxicology – Evolution versus revolution
- (2019) T. Burgdorf et al. TOXICOLOGY IN VITRO
- Machine learning prediction of nanoparticle in vitro toxicity: A comparative study of classifiers and ensemble-classifiers using the Copeland Index
- (2019) Irini Furxhi et al. TOXICOLOGY LETTERS
- Intelligent testing strategy and analytical techniques for the safety assessment of nanomaterials
- (2018) Rui Chen et al. ANALYTICAL AND BIOANALYTICAL CHEMISTRY
- Quasi-SMILES-Based Nano-Quantitative Structure–Activity Relationship Model to Predict the Cytotoxicity of Multiwalled Carbon Nanotubes to Human Lung Cells
- (2018) Tung Xuan Trinh et al. CHEMICAL RESEARCH IN TOXICOLOGY
- Multivariate statistical analysis for selecting optimal descriptors in the toxicity modeling of nanomaterials
- (2018) Sunil Kr. Jha et al. COMPUTERS IN BIOLOGY AND MEDICINE
- Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology
- (2018) Tomasz Puzyn et al. FOOD AND CHEMICAL TOXICOLOGY
- Modelling the toxicity of a large set of metal and metal oxide nanoparticles using the OCHEM platform
- (2018) Vasyl Kovalishyn et al. FOOD AND CHEMICAL TOXICOLOGY
- Hazard Screening Methods for Nanomaterials: A Comparative Study
- (2018) Barry Sheehan et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Optimized Classification Predictions with a New Index Combining Machine Learning Algorithms
- (2018) Androniki Tamvakis et al. International Journal on Artificial Intelligence Tools
- Considerations of nano-QSAR/QSPR models for nanopesticide risk assessment within the European legislative framework
- (2018) Juan José Villaverde et al. SCIENCE OF THE TOTAL ENVIRONMENT
- Towards a generalized toxicity prediction model for oxide nanomaterials using integrated data from different sources
- (2018) Jang-Sik Choi et al. Scientific Reports
- Curation of datasets, assessment of their quality and completeness, and nanoSAR classification model development for metallic nanoparticles
- (2018) Tung X. Trinh et al. Environmental Science-Nano
- Nano-QSAR modeling for ecosafe design of heterogeneous TiO2-based nano-photocatalysts
- (2018) Alicja Mikolajczyk et al. Environmental Science-Nano
- Implementation of Safe-by-Design for Nanomaterial Development and Safe Innovation: Why We Need a Comprehensive Approach
- (2018) Annette Kraegeloh et al. Nanomaterials
- Screening Priority Factors Determining and Predicting the Reproductive Toxicity of Various Nanoparticles
- (2018) Zhan Ban et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Grouping of nanomaterials to read-across hazard endpoints: a review
- (2018) L. Lamon et al. Nanotoxicology
- Grouping of nanomaterials to read-across hazard endpoints: from data collection to assessment of the grouping hypothesis by application of chemoinformatic techniques
- (2018) L. Lamon et al. Particle and Fibre Toxicology
- Toxicity Classification of Oxide Nanomaterials: Effects of Data Gap Filling and PChem Score-based Screening Approaches
- (2018) My Kieu Ha et al. Scientific Reports
- QSAR modeling of adipose/blood partition coefficients of Alcohols, PCBs, PBDEs, PCDDs and PAHs: A data gap filling approach
- (2018) Jephthe Jean et al. ENVIRONMENT INTERNATIONAL
- Physiologically Based Pharmacokinetic Modeling of Nanoparticles
- (2018) Dongfen Yuan et al. JOURNAL OF PHARMACEUTICAL SCIENCES
- Integrating data gap filling techniques: A case study predicting TEFs for neurotoxicity TEQs to facilitate the hazard assessment of polychlorinated biphenyls
- (2018) Prachi Pradeep et al. REGULATORY TOXICOLOGY AND PHARMACOLOGY
- Quasi-QSAR for predicting the cell viability of human lung and skin cells exposed to different metal oxide nanomaterials
- (2018) Jang-Sik Choi et al. CHEMOSPHERE
- Experimental–Computational Study of Carbon Nanotube Effects on Mitochondrial Respiration: In Silico Nano-QSPR Machine Learning Models Based on New Raman Spectra Transform with Markov–Shannon Entropy Invariants
- (2017) Michael González-Durruthy et al. Journal of Chemical Information and Modeling
- What if the number of nanotoxicity data is too small for developing predictive Nano-QSAR models? An alternative read-across based approach for filling data gaps
- (2017) Agnieszka Gajewicz Nanoscale
- Decision tree models to classify nanomaterials according to the DF4nanoGrouping scheme
- (2017) Agnieszka Gajewicz et al. Nanotoxicology
- Multi-target QSTR modeling for simultaneous prediction of multiple toxicity endpoints of nano-metal oxides
- (2017) Nikita Basant et al. Nanotoxicology
- Probing the toxicity of nanoparticles: a unified in silico machine learning model based on perturbation theory
- (2017) Riccardo Concu et al. Nanotoxicology
- Application of Bayesian networks for hazard ranking of nanomaterials to support human health risk assessment
- (2017) Hans J. P. Marvin et al. Nanotoxicology
- Sparse Supervised Classification Methods Predict and Characterize Nanomaterial Exposures: Independent Markers of MWCNT Exposures
- (2017) Naveena Yanamala et al. TOXICOLOGIC PATHOLOGY
- Addressing a bottle neck for regulation of nanomaterials: quantitative read-across (Nano-QRA) algorithm for cases when only limited data is available
- (2017) A. Gajewicz et al. Environmental Science-Nano
- Nano-Lazar: Read across Predictions for Nanoparticle Toxicities with Calculated and Measured Properties
- (2017) Christoph Helma et al. Frontiers in Pharmacology
- Making Nanomaterials Safer by Design?
- (2017) Claudia Schwarz-Plaschg et al. NanoEthics
- How the toxicity of nanomaterials towards different species could be simultaneously evaluated: a novel multi-nano-read-across approach
- (2017) Natalia Sizochenko et al. Nanoscale
- Optimal classifier for imbalanced data using Matthews Correlation Coefficient metric
- (2017) Sabri Boughorbel et al. PLoS One
- Physiologically Based Pharmacokinetic (PBPK) Modeling of Pharmaceutical Nanoparticles
- (2016) Min Li et al. AAPS Journal
- Extrapolating between toxicity endpoints of metal oxide nanoparticles: Predicting toxicity to Escherichia coli and human keratinocyte cell line (HaCaT) with Nano-QTTR
- (2016) Supratik Kar et al. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
- Cytotoxicity of chitosan/streptokinase nanoparticles as a function of size: An artificial neural networks study
- (2016) Hadi Baharifar et al. Nanomedicine-Nanotechnology Biology and Medicine
- A Tractable Method for Measuring Nanomaterial Risk Using Bayesian Networks
- (2016) Finbarr Murphy et al. Nanoscale Research Letters
- Accurate and interpretable nanoSAR models from genetic programming-based decision tree construction approaches
- (2016) Ceyda Oksel et al. Nanotoxicology
- Predicting toxic potencies of metal oxide nanoparticles by means of nano-QSARs
- (2016) Yunsong Mu et al. Nanotoxicology
- Meta-analysis of cellular toxicity for cadmium-containing quantum dots
- (2016) Eunkeu Oh et al. Nature Nanotechnology
- Unreasonable effectiveness of learning neural networks: From accessible states and robust ensembles to basic algorithmic schemes
- (2016) Carlo Baldassi et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Investigation of the influence of protein corona composition on gold nanoparticle bioactivity using machine learning approaches
- (2016) E. Papa et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- An Experimental and Computational Approach to the Development of ZnO Nanoparticles that are Safe by Design
- (2016) Tu C. Le et al. Small
- A Tractable Method for Measuring Nanomaterial Risk Using Bayesian Networks
- (2016) Finbarr Murphy et al. Nanoscale Research Letters
- Altering in vivo macrophage responses with modified polymer properties
- (2015) Hannah C. Bygd et al. BIOMATERIALS
- Zeta Potential for Metal Oxide Nanoparticles: A Predictive Model Developed by a Nano-Quantitative Structure–Property Relationship Approach
- (2015) Alicja Mikolajczyk et al. CHEMISTRY OF MATERIALS
- Enhanced replacement method integration with genetic algorithms populations in QSAR and QSPR theories
- (2015) Andrew G. Mercader et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- On a simple approach for determining applicability domain of QSAR models
- (2015) Kunal Roy et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Quasi-SMILES and nano-QFAR: United model for mutagenicity of fullerene and MWCNT under different conditions
- (2015) Andrey A. Toropov et al. CHEMOSPHERE
- A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through Enalos InSilicoNano Platform
- (2015) Georgia Melagraki et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metal oxide nanoparticles under different conditions
- (2015) Alla P. Toropova et al. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
- Toxicity of Metal Oxide Nanoparticles in Escherichia coli Correlates with Conduction Band and Hydration Energies
- (2015) Chitrada Kaweeteerawat et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Introduction of simplex-informational descriptors for QSPR analysis of fullerene derivatives
- (2015) Natalia Sizochenko et al. JOURNAL OF MATHEMATICAL CHEMISTRY
- QSPR study on solubility of some fullerenes derivatives using the genetic algorithms — Multiple linear regression
- (2015) Eslam Pourbasheer et al. JOURNAL OF MOLECULAR LIQUIDS
- Comparative hazard analysis and toxicological modeling of diverse nanomaterials using the embryonic zebrafish (EZ) metric of toxicity
- (2015) Bryan Harper et al. JOURNAL OF NANOPARTICLE RESEARCH
- Computational modeling in nanomedicine: prediction of multiple antibacterial profiles of nanoparticles using a quantitative structure–activity relationship perturbation model
- (2015) Alejandro Speck-Planche et al. Nanomedicine
- Prediction of nanoparticles-cell association based on corona proteins and physicochemical properties
- (2015) Rong Liu et al. Nanoscale
- Computer-aided design of carbon nanotubes with the desired bioactivity and safety profiles
- (2015) Denis Fourches et al. Nanotoxicology
- (Q)SAR modelling of nanomaterial toxicity: A critical review
- (2015) Ceyda Oksel et al. Particuology
- Linear and non-linear modelling of the cytotoxicity of TiO2and ZnO nanoparticles by empirical descriptors
- (2015) E. Papa et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- A quasi-QSPR modelling for the photocatalytic decolourization rate constants and cellular viability (CV%) of nanoparticles by CORAL
- (2015) A.P. Toropova et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- Predicting cytotoxicity of PAMAM dendrimers using molecular descriptors
- (2015) David E Jones et al. Beilstein Journal of Nanotechnology
- RRegrs: an R package for computer-aided model selection with multiple regression models
- (2015) Georgia Tsiliki et al. Journal of Cheminformatics
- Causal inference methods to assist in mechanistic interpretation of classification nano-SAR models
- (2015) Natalia Sizochenko et al. RSC Advances
- Using nano-QSAR to determine the most responsible factor(s) in gold nanoparticle exocytosis
- (2015) Arafeh Bigdeli et al. RSC Advances
- Modeling the Dispersibility of Single Walled Carbon Nanotubes in Organic Solvents by Quantitative Structure-Activity Relationship Approach
- (2015) Hayriye Yilmaz et al. Nanomaterials
- Protein Corona Fingerprinting Predicts the Cellular Interaction of Gold and Silver Nanoparticles
- (2014) Carl D. Walkey et al. ACS Nano
- Computational ecotoxicology: Simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions
- (2014) Valeria V. Kleandrova et al. ENVIRONMENT INTERNATIONAL
- Computational Tool for Risk Assessment of Nanomaterials: Novel QSTR-Perturbation Model for Simultaneous Prediction of Ecotoxicity and Cytotoxicity of Uncoated and Coated Nanoparticles under Multiple Experimental Conditions
- (2014) Valeria V. Kleandrova et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides
- (2014) Alla P. Toropova et al. ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
- Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach
- (2014) Feng Luan et al. Nanoscale
- From basic physics to mechanisms of toxicity: the “liquid drop” approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles
- (2014) Natalia Sizochenko et al. Nanoscale
- Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: Hints from nano-QSAR studies
- (2014) Agnieszka Gajewicz et al. Nanotoxicology
- Modelling and predicting the biological effects of nanomaterials
- (2014) D.A. Winkler et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- Nano-quantitative structure–activity relationship modeling using easily computable and interpretable descriptors for uptake of magnetofluorescent engineered nanoparticles in pancreatic cancer cells
- (2014) Supratik Kar et al. TOXICOLOGY IN VITRO
- Nano-QSAR modeling for predicting biological activity of diverse nanomaterials
- (2014) Kunwar P. Singh et al. RSC Advances
- Enalos InSilicoNano platform: an online decision support tool for the design and virtual screening of nanoparticles
- (2014) Georgia Melagraki et al. RSC Advances
- Optimal descriptor as a translator of eclectic information into the prediction of membrane damage by means of various TiO2 nanoparticles
- (2013) Alla P. Toropova et al. CHEMOSPHERE
- QSAR as a random event: Modeling of nanoparticles uptake in PaCa2 cancer cells
- (2013) Andrey A. Toropov et al. CHEMOSPHERE
- Optimal descriptor as a translator of eclectic data into endpoint prediction: Mutagenicity of fullerene as a mathematical function of conditions
- (2013) Andrey A. Toropov et al. CHEMOSPHERE
- An Alignment Independent 3D-QSAR Modeling of Dispersibility of Single-walled Carbon Nanotubes in Different Organic Solvents
- (2013) M. K. Rofouei et al. FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
- Predictive modeling of nanomaterial exposure effects in biological systems
- (2013) Xiong Liu et al. International Journal of Nanomedicine
- Developing Descriptors To Predict Mechanical Properties of Nanotubes
- (2013) Tammie L. Borders et al. Journal of Chemical Information and Modeling
- Least square-support vector (LS-SVM) method for modeling of methylene blue dye adsorption using copper oxide loaded on activated carbon: Kinetic and isotherm study
- (2013) M. Ghaedi et al. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
- QSAR studies of the dispersion of SWNTs in different organic solvents
- (2013) M. Salahinejad et al. JOURNAL OF NANOPARTICLE RESEARCH
- Using experimental data of Escherichia coli to develop a QSAR model for predicting the photo-induced cytotoxicity of metal oxide nanoparticles
- (2013) Kavitha Pathakoti et al. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
- New LSER Model Based on Solvent Empirical Parameters for the Prediction and Description of the Solubility of Buckminsterfullerene in Various Solvents
- (2013) Saeed Yousefinejad et al. JOURNAL OF SOLUTION CHEMISTRY
- Development of structure–activity relationship for metal oxide nanoparticles
- (2013) Rong Liu et al. Nanoscale
- A Meta-Analysis of Carbon Nanotube Pulmonary Toxicity Studies-How Physical Dimensions and Impurities Affect the Toxicity of Carbon Nanotubes
- (2013) Jeremy M. Gernand et al. RISK ANALYSIS
- Particle size, surface charge and concentration dependent ecotoxicity of three organo-coated silver nanoparticles: Comparison between general linear model-predicted and observed toxicity
- (2013) Thilini Silva et al. SCIENCE OF THE TOTAL ENVIRONMENT
- Gold nanoparticles: recent aspects for human toxicology
- (2013) Alexander Gerber et al. Journal of Occupational Medicine and Toxicology
- Use of Metal Oxide Nanoparticle Band Gap To Develop a Predictive Paradigm for Oxidative Stress and Acute Pulmonary Inflammation
- (2012) Haiyuan Zhang et al. ACS Nano
- Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli
- (2012) Andrey A. Toropov et al. CHEMOSPHERE
- Modeling the Cellular Uptake of Magnetofluorescent Nanoparticles in Pancreatic Cancer Cells: A Quantitative Structure Activity Relationship Study
- (2012) Mehdi Ghorbanzadeh et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Dependence of QSAR Models on the Selection of Trial Descriptor Sets: A Demonstration Using Nanotoxicity Endpoints of Decorated Nanotubes
- (2012) Chi-Yu Shao et al. Journal of Chemical Information and Modeling
- Modeling Biological Activities of Nanoparticles
- (2012) V. Chandana Epa et al. NANO LETTERS
- Quantitative Nanostructure–Activity Relationship modelling of nanoparticles
- (2012) Yi Ting Chau et al. RSC Advances
- Mapping the Surface Adsorption Forces of Nanomaterials in Biological Systems
- (2011) Xin R. Xia et al. ACS Nano
- Use of a High-Throughput Screening Approach Coupled with In Vivo Zebrafish Embryo Screening To Develop Hazard Ranking for Engineered Nanomaterials
- (2011) Saji George et al. ACS Nano
- Characterization of Translocation of Silver Nanoparticles and Effects on Whole-Genome Gene Expression Using an In Vitro Intestinal Epithelium Coculture Model
- (2011) Hans Bouwmeester et al. ACS Nano
- Comparative Studies on Some Metrics for External Validation of QSPR Models
- (2011) Kunal Roy et al. Journal of Chemical Information and Modeling
- Improved model for fullerene C60 solubility in organic solvents based on quantum-chemical and topological descriptors
- (2011) Tetyana Petrova et al. JOURNAL OF NANOPARTICLE RESEARCH
- Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles
- (2011) Tomasz Puzyn et al. Nature Nanotechnology
- Classification NanoSAR Development for Cytotoxicity of Metal Oxide Nanoparticles
- (2011) Rong Liu et al. Small
- Predictive Toxicology of Cobalt Nanoparticles and Ions: Comparative In Vitro Study of Different Cellular Models Using Methods of Knowledge Discovery from Data
- (2011) Limor Horev-Azaria et al. TOXICOLOGICAL SCIENCES
- Quantitative Nanostructure−Activity Relationship Modeling
- (2010) Denis Fourches et al. ACS Nano
- Understanding the toxicity of aggregated zero valent copper nanoparticles against Escherichia coli
- (2010) Fred Rispoli et al. JOURNAL OF HAZARDOUS MATERIALS
- CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives
- (2010) Alla P. Toropova et al. MOLECULAR DIVERSITY
- The MicroArray Quality Control (MAQC)-II study of common practices for the development and validation of microarray-based predictive models
- (2010) NATURE BIOTECHNOLOGY
- Comparative Study of Predictive Computational Models for Nanoparticle-Induced Cytotoxicity
- (2010) Christie Sayes et al. RISK ANALYSIS
- Additive InChI-based optimal descriptors: QSPR modeling of fullerene C 60 solubility in organic solvents
- (2009) Andrey A. Toropov et al. JOURNAL OF MATHEMATICAL CHEMISTRY
- “ToxRTool”, a new tool to assess the reliability of toxicological data
- (2009) Klaus Schneider et al. TOXICOLOGY LETTERS
- Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations
- (2008) Serdar Durdagi et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Multiplicative SMILES-based optimal descriptors: QSPR modeling of fullerene C60 solubility in organic solvents
- (2008) Andrey A. Toropov et al. CHEMICAL PHYSICS LETTERS
- A Molecular‐Based Model for Prediction of Solubility of C60Fullerene in Various Solvents
- (2008) Farhad Gharagheizi et al. FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
- Critical Assessment of QSAR Models of Environmental Toxicity againstTetrahymena pyriformis:Focusing on Applicability Domain and Overfitting by Variable Selection
- (2008) Igor V. Tetko et al. Journal of Chemical Information and Modeling
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