Machine Learning Models for Predicting Cytotoxicity of Nanomaterials

Developing QSAR Models with Defined Applicability Domains on PPARγ Binding Affinity Using Large Data Sets and Machine Learning Algorithms

(2021) Zhongyu Wang et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Nano-SAR Modeling for Predicting the Cytotoxicity of Metal Oxide Nanoparticles to PaCa2

(2021) Haihua Shi et al.   MOLECULES

Nanomaterial Databases: Data Sources for Promoting Design and Risk Assessment of Nanomaterials

(2021) Zuowei Ji et al.   Nanomaterials

Cytotoxicity of phytosynthesized silver nanoparticles: A meta-analysis by machine learning algorithms

(2021) Lei Liu et al.   Sustainable Chemistry and Pharmacy

Meta-analysis of cellular toxicity for graphene via data-mining the literature and machine learning

(2021) Ying Ma et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Analysis of model PM2.5-induced inflammation and cytotoxicity by the combination of a virtual carbon nanoparticle library and computational modeling

(2020) Guohong Liu et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Practices and Trends of Machine Learning Application in Nanotoxicology

(2020) Irini Furxhi et al.   Nanomaterials

Machine learning predicts the functional composition of the protein corona and the cellular recognition of nanoparticles

(2020) Zhan Ban et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Enalos Suite of tools: Enhance Cheminformatics and Nanoinformatics through KNIME

(2020) Antreas Afantitis et al.   CURRENT MEDICINAL CHEMISTRY

Quantitative Structure–Activity Relationship Models for Predicting Inflammatory Potential of Metal Oxide Nanoparticles

(2020) Yang Huang et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Artificial Intelligence and Machine Learning in Computational Nanotoxicology: Unlocking and Empowering Nanomedicine

(2020) Ajay Vikram Singh et al.   Advanced Healthcare Materials

Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform

(2020) Anastasios G. Papadiamantis et al.   Nanomaterials

QNAR modeling of cytotoxicity of mixing nano-TiO2 and heavy metals

(2020) Beilei Yuan et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Evaluating the cytotoxicity of a large pool of metal oxide nanoparticles to Escherichia coli: Mechanistic understanding through In Vitro and In Silico studies

(2020) Supratik Kar et al.   CHEMOSPHERE

Computational prediction models for assessing endocrine disrupting potential of chemicals

(2019) Sugunadevi Sakkiah et al.   JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART C-ENVIRONMENTAL CARCINOGENESIS & ECOTOXICOLOGY REVIEWS

A review on machine learning methods for in silico toxicity prediction

(2019) Gabriel Idakwo et al.   JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART C-ENVIRONMENTAL CARCINOGENESIS & ECOTOXICOLOGY REVIEWS

Meta-Analysis of Nanoparticle Cytotoxicity via Data-Mining the Literature

(2019) Hagar I. Labouta et al.   ACS Nano

Evaluating genotoxicity of metal oxide nanoparticles: Application of advanced supervised and unsupervised machine learning techniques

(2019) Natalia Sizochenko et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

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

CORAL: Predictive models for cytotoxicity of functionalized nanozeolites based on quasi-SMILES

(2018) Caterina Leone et al.   CHEMOSPHERE

Molecular dynamics simulations and applications in computational toxicology and nanotoxicology

(2018) Chandrabose Selvaraj et al.   FOOD AND CHEMICAL TOXICOLOGY

Probabilistic risk assessment of gold nanoparticles after intravenous administration by integrating in vitro and in vivo toxicity with physiologically based pharmacokinetic modeling

(2018) Yi-Hsien Cheng et al.   Nanotoxicology

Nano-QSAR modeling for ecosafe design of heterogeneous TiO2-based nano-photocatalysts

(2018) Alicja Mikolajczyk et al.   Environmental Science-Nano

Toxicity Classification of Oxide Nanomaterials: Effects of Data Gap Filling and PChem Score-based Screening Approaches

(2018) My Kieu Ha et al.   Scientific Reports

Probing the toxicity of nanoparticles: a unified in silico machine learning model based on perturbation theory

(2017) Riccardo Concu et al.   Nanotoxicology

The way to cover prediction for cytotoxicity for all existing nano-sized metal oxides by using neural network method

(2017) Natalja Fjodorova et al.   Nanotoxicology

Use of metal/metal oxide spherical cluster and hydroxyl metal coordination complex for descriptor calculation in development of nanoparticle cytotoxicity classification model

(2017) H. K. Shin et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Evaluating the toxicity of TiO2-based nanoparticles to Chinese hamster ovary cells and Escherichia coli: a complementary experimental and computational approach

(2017) Alicja Mikolajczyk et al.   Beilstein Journal of Nanotechnology

Development of estrogen receptor beta binding prediction model using large sets of chemicals

(2017) Sugunadevi Sakkiah et al.   Oncotarget

Development of valuable predictive read-across models based on “real-life” (sparse) nanotoxicity data

(2017) A. Gajewicz   Environmental Science-Nano

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

Development of Decision Forest Models for Prediction of Drug-Induced Liver Injury in Humans Using A Large Set of FDA-approved Drugs

(2017) Huixiao Hong et al.   Scientific Reports

Individualized network-based drug repositioning infrastructure for precision oncology in the panomics era

(2016) Feixiong Cheng et al.   BRIEFINGS IN BIOINFORMATICS

Applying network analysis and Nebula (neighbor-edges based and unbiased leverage algorithm) to ToxCast data

(2016) Hao Ye et al.   ENVIRONMENT INTERNATIONAL

Predicting toxic potencies of metal oxide nanoparticles by means of nano-QSARs

(2016) Yunsong Mu et al.   Nanotoxicology

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

sNebula, a network-based algorithm to predict binding between human leukocyte antigens and peptides

(2016) Heng Luo et al.   Scientific Reports

Understanding and predicting binding between human leukocyte antigens (HLAs) and peptides by network analysis

(2015) Heng Luo et al.   BMC BIOINFORMATICS

Estrogenic Activity Data Extraction and in Silico Prediction Show the Endocrine Disruption Potential of Bisphenol A Replacement Compounds

(2015) Hui Wen Ng et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Development and Validation of Decision Forest Model for Estrogen Receptor Binding Prediction of Chemicals Using Large Data Sets

(2015) Hui Wen Ng et al.   CHEMICAL RESEARCH IN TOXICOLOGY

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

Nanoparticles in medicine: Current challenges facing inorganic nanoparticle toxicity assessments and standardizations

(2015) Margarethe Hofmann-Amtenbrink et al.   Nanomedicine-Nanotechnology Biology and Medicine

Computer-aided design of carbon nanotubes with the desired bioactivity and safety profiles

(2015) Denis Fourches et al.   Nanotoxicology

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

Using nano-QSAR to determine the most responsible factor(s) in gold nanoparticle exocytosis

(2015) Arafeh Bigdeli et al.   RSC Advances

Competitive molecular docking approach for predicting estrogen receptor subtype α agonists and antagonists

(2014) Hui Wen Ng et al.   BMC BIOINFORMATICS

Periodic table-based descriptors to encode cytotoxicity profile of metal oxide nanoparticles: A mechanistic QSTR approach

(2014) Supratik Kar et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

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

Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach

(2014) Feng Luan et al.   Nanoscale

Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across

(2014) Agnieszka Gajewicz et al.   NANOTECHNOLOGY

Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: Hints from nano-QSAR studies

(2014) Agnieszka Gajewicz et al.   Nanotoxicology

Enalos InSilicoNano platform: an online decision support tool for the design and virtual screening of nanoparticles

(2014) Georgia Melagraki et al.   RSC Advances

Physicochemical Properties of Nanomaterials: Implication in Associated Toxic Manifestations

(2014) Manzoor Ahmad Gatoo et al.   Biomed Research International

Encapsulation of Strongly Fluorescent Carbon Quantum Dots in Metal–Organic Frameworks for Enhancing Chemical Sensing

(2013) Xiaomei Lin et al.   ANALYTICAL CHEMISTRY

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

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

Flexible supercapacitor fabrication by room temperature rapid laser processing of roll-to-roll printed metal nanoparticle ink for wearable electronics application

(2013) Junyeob Yeo et al.   JOURNAL OF POWER SOURCES

EADB: An Estrogenic Activity Database for Assessing Potential Endocrine Activity

(2013) Jie Shen et al.   TOXICOLOGICAL SCIENCES

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

Modeling Biological Activities of Nanoparticles

(2012) V. Chandana Epa et al.   NANO LETTERS

Silver nanoparticle-based thermal interface materials with ultra-low thermal resistance for power electronics applications

(2012) Hui Yu et al.   SCRIPTA MATERIALIA

Quantitative Nanostructure–Activity Relationship modelling of nanoparticles

(2012) Yi Ting Chau et al.   RSC Advances

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

Synthesis, Properties, and Electronic Applications of Size-Controlled Poly(3-hexylthiophene) Nanoparticles

(2010) Jill E. Millstone et al.   LANGMUIR

Comparative Study of Predictive Computational Models for Nanoparticle-Induced Cytotoxicity

(2010) Christie Sayes et al.   RISK ANALYSIS

NanoGenotoxicology: The DNA damaging potential of engineered nanomaterials

(2009) Neenu Singh et al.   BIOMATERIALS