A Review of Recent Advances towards the Development of (Quantitative) Structure-Activity Relationships for Metallic Nanomaterials. (scientific article published on 31 August 2017)

Emerging methods and tools for environmental risk assessment, decision-making, and policy for nanomaterials: summary of NATO Advanced Research Workshop

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Nanoparticles and neurotoxicity

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Use of metal oxide nanoparticle band gap to develop a predictive paradigm for oxidative stress and acute pulmonary inflammation

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

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Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

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Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52

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

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Using experimental data of Escherichia coli to develop a QSAR model for predicting the photo-induced cytotoxicity of metal oxide nanoparticles

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Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metal oxide nanoparticles under different conditions.

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Summary and analysis of the currently existing literature data on metal-based nanoparticles published for selected aquatic organisms: Applicability for toxicity prediction by (Q)SARs.

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Bactericidal effect of iron oxide nanoparticles on Staphylococcus aureus.

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Classification NanoSAR development for cytotoxicity of metal oxide nanoparticles

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Lipophilicity in PK design: methyl, ethyl, futile

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A review of structure-based biodegradation estimation methods

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Cell-specific targeting of nanoparticles by multivalent attachment of small molecules

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Perturbational profiling of nanomaterial biologic activity

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Toward the development of "nano-QSARs": advances and challenges

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Exploring quantitative nanostructure-activity relationships (QNAR) modeling as a tool for predicting biological effects of manufactured nanoparticles

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Cellular uptake, intracellular trafficking, and cytotoxicity of nanomaterials

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Advancing risk assessment of engineered nanomaterials: application of computational approaches

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Relating nanomaterial properties and microbial toxicity.

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Oxidative stress induced by inorganic nanoparticles in bacteria and aquatic microalgae--state of the art and knowledge gaps

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Mechanisms of toxic action of Ag, ZnO and CuO nanoparticles to selected ecotoxicological test organisms and mammalian cells in vitro: a comparative review.

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Using a holistic approach to assess the impact of engineered nanomaterials inducing toxicity in aquatic systems

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Recent advances, and unresolved issues, in the application of computational modelling to the prediction of the biological effects of nanomaterials

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Linear and non-linear modelling of the cytotoxicity of TiO2 and ZnO nanoparticles by empirical descriptors.

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

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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.

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CORAL and Nano-QFAR: Quantitative feature - Activity relationships (QFAR) for bioavailability of nanoparticles (ZnO, CuO, Co3O4, and TiO2).

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

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

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Development of structure-activity relationship for metal oxide nanoparticles

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QSAR as a random event: modeling of nanoparticles uptake in PaCa2 cancer cells

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Modeling biological activities of nanoparticles

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Cytotoxic and genotoxic effects of silver nanoparticles in testicular cells

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Penetration of lipid membranes by gold nanoparticles: insights into cellular uptake, cytotoxicity, and their relationship

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Comparative study of predictive computational models for nanoparticle-induced cytotoxicity

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Toxicity of ZnO nanoparticles to Escherichia coli: mechanism and the influence of medium components

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Surface chemistry influences cancer killing effect of TiO2 nanoparticles

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Titanium dioxide (P25) produces reactive oxygen species in immortalized brain microglia (BV2): implications for nanoparticle neurotoxicity.

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Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles

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Quantitative consensus of bioaccumulation models for integrated testing strategies

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

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Nano-SAR development for bioactivity of nanoparticles with considerations of decision boundaries

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In vitro evaluation of cytotoxicity of engineered metal oxide nanoparticles

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Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli

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Bactericidal activity and in vitro cytotoxicity assessment of hydroxyapatite containing gold nanoparticles.

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Assessing the risks of manufactured nanomaterials.

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Acute and chronic effects of nano- and non-nano-scale TiO(2) and ZnO particles on mobility and reproduction of the freshwater invertebrate Daphnia magna.

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QSAR modeling of toxicity of diverse organic chemicals to Daphnia magna using 2D and 3D descriptors.

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Neurotoxicity of silica nanoparticles: brain localization and dopaminergic neurons damage pathways.

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From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles.

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Sub-toxic effects of CuO nanoparticles on bacteria: kinetics, role of Cu ions and possible mechanisms of action.

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Nano-silver induces dose-response effects on the nematode Caenorhabditis elegans.

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Principles of QSAR models validation: internal and external

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PLS-regression: a basic tool of chemometrics

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

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Nano-quantitative structure–activity relationship modeling using easily computable and interpretable descriptors for uptake of magnetofluorescent engineered nanoparticles in pancreatic cancer cells

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Cytogenetic and genotoxic effects of zinc oxide nanoparticles on root cells of Allium cepa

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Toxicity and Accumulation of Cu and ZnO Nanoparticles in Daphnia magna

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

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Structure-activity relationships for biodegradation: A critical review

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A theoretical framework for predicting the oxidative stress potential of oxide nanoparticles

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Zinc Oxide Nanoparticle Induced Genotoxicity in Primary Human Epidermal Keratinocytes

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Cytotoxicity of CeO2 nanoparticles for Escherichia coli. Physico-chemical insight of the cytotoxicity mechanism

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Toxicity of nanosized and bulk ZnO, CuO and TiO2 to bacteria Vibrio fischeri and crustaceans Daphnia magna and Thamnocephalus platyurus

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Comparative toxicity of nanoparticulate ZnO, bulk ZnO, and ZnCl2 to a freshwater microalga (Pseudokirchneriella subcapitata): the importance of particle solubility

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Exposure of engineered nanoparticles to human lung epithelial cells: influence of chemical composition and catalytic activity on oxidative stress

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Nanobiology: particles slip cell security

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First report on development of quantitative interspecies structure-carcinogenicity relationship models and exploring discriminatory features for rodent carcinogenicity of diverse organic chemicals using OECD guidelines

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

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