Current Knowledge on the Use of Computational Toxicology in Hazard Assessment of Metallic Engineered Nanomaterials

Developing species sensitivity distributions for metallic nanomaterials considering the characteristics of nanomaterials, experimental conditions, and different types of endpoints

(2018) Guangchao Chen et al.   FOOD AND CHEMICAL TOXICOLOGY

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

Dose metrics assessment for differently shaped and sized metal-based nanoparticles

(2016) Jing Hua et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Combining exposure and effect modeling into an integrated probabilistic environmental risk assessment for nanoparticles

(2016) Rianne Jacobs et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Parametrization of nanoparticles: development of full-particle nanodescriptors

(2016) K. Tämm et al.   Nanoscale

Are engineered nano iron oxide particles safe? an environmental risk assessment by probabilistic exposure, effects and risk modeling

(2016) Yan Wang et al.   Nanotoxicology

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

(2016) Yunsong Mu et al.   Nanotoxicology

Case studies putting the decision-making framework for the grouping and testing of nanomaterials (DF4nanoGrouping) into practice

(2016) Josje H.E. Arts et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Probabilistic modeling of the flows and environmental risks of nano-silica

(2016) Yan Wang et al.   SCIENCE OF THE TOTAL ENVIRONMENT

In silico toxicology: computational methods for the prediction of chemical toxicity

(2016) Arwa B. Raies et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Species Sensitivity Distributions for Engineered Nanomaterials

(2015) Kendra L. Garner et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Species sensitivity weighted distribution for ecological risk assessment of engineered nanomaterials: The n-TiO2case study

(2015) Elena Semenzin et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Comparative Aquatic Toxicity of Gold Nanoparticles and Ionic Gold Using a Species Sensitivity Distribution Approach

(2015) Tarryn L. Botha et al.   Journal of Nanomaterials

Multispecies toxicity test for silver nanoparticles to derive hazardous concentration based on species sensitivity distribution for the protection of aquatic ecosystems

(2015) Jin Il Kwak et al.   Nanotoxicology

Probabilistic environmental risk assessment of five nanomaterials (nano-TiO2, nano-Ag, nano-ZnO, CNT, and fullerenes)

(2015) Claudia Coll et al.   Nanotoxicology

A decision-making framework for the grouping and testing of nanomaterials (DF4nanoGrouping)

(2015) Josje H.E. Arts et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

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

Aquatic acute species sensitivity distributions of ZnO and CuO nanoparticles

(2015) Nathalie Adam et al.   SCIENCE OF THE TOTAL ENVIRONMENT

NanoE-Tox: New and in-depth database concerning ecotoxicity of nanomaterials

(2015) Katre Juganson et al.   Beilstein Journal of Nanotechnology

Causal inference methods to assist in mechanistic interpretation of classification nano-SAR models

(2015) Natalia Sizochenko et al.   RSC Advances

Probabilistic modelling of prospective environmental concentrations of gold nanoparticles from medical applications as a basis for risk assessment

(2015) Indrani Mahapatra et al.   JOURNAL OF NANOBIOTECHNOLOGY

Computational design of safer nanomaterials

(2015) E. Burello   Environmental Science-Nano

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

Comparative study of biodegradability prediction of chemicals using decision trees, functional trees, and logistic regression

(2014) Guangchao Chen et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Particle-specific toxic effects of differently shaped zinc oxide nanoparticles to zebrafish embryos (Danio rerio )

(2014) Jing Hua et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

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

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

Conducting a battery of bioassays for gold nanoparticles to derive guideline value for the protection of aquatic ecosystems

(2014) Sun-Hwa Nam et al.   Nanotoxicology

Nano-QSAR modeling for predicting biological activity of diverse nanomaterials

(2014) Kunwar P. Singh et al.   RSC Advances

Toxicity of Ag, CuO and ZnO nanoparticles to selected environmentally relevant test organisms and mammalian cells in vitro: a critical review

(2013) Olesja Bondarenko et al.   ARCHIVES OF TOXICOLOGY

Engineered nanomaterials in water and soils: A risk quantification based on probabilistic exposure and effect modeling

(2013) Fadri Gottschalk et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Predictive modeling of nanomaterial exposure effects in biological systems

(2013) Xiong Liu et al.   International Journal of Nanomedicine

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

Development of structure–activity relationship for metal oxide nanoparticles

(2013) Rong Liu et al.   Nanoscale

Dissolution of Silver Nanowires and Nanospheres Dictates Their Toxicity toEscherichia coli

(2013) Meeri Visnapuu et al.   Biomed Research International

Predicted Releases of Engineered Nanomaterials: From Global to Regional to Local

(2013) Arturo A. Keller et al.   Environmental Science & Technology Letters

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 Biological Activities of Nanoparticles

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

Negligible Particle-Specific Antibacterial Activity of Silver Nanoparticles

(2012) Zong-ming Xiu et al.   NANO LETTERS

Effect of morphology of ZnO nanostructures on their toxicity to marine algae

(2011) Xiaohui Peng et al.   AQUATIC TOXICOLOGY

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

(2011) Iurii Sushko et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Surface charge of gold nanoparticles mediates mechanism of toxicity

(2011) Nicole M. Schaeublin et al.   Nanoscale

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

Toxicity of silver nanoparticles—Nanoparticle or silver ion?

(2011) Christiane Beer et al.   TOXICOLOGY LETTERS

Quantitative Nanostructure−Activity Relationship Modeling

(2010) Denis Fourches et al.   ACS Nano

Surface-Charge-Dependent Cell Localization and Cytotoxicity of Cerium Oxide Nanoparticles

(2010) Atul Asati et al.   ACS Nano

Surface Charge-Dependent Toxicity of Silver Nanoparticles

(2010) Amro M. El Badawy et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Comparative Study of Predictive Computational Models for Nanoparticle-Induced Cytotoxicity

(2010) Christie Sayes et al.   RISK ANALYSIS

Perturbational profiling of nanomaterial biologic activity

(2008) S. Y. Shaw et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA