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

Current and Future Perspectives on the Development, Evaluation, and Application of in Silico Approaches for Predicting Toxicity

(2016) Grace Patlewicz et al.   CHEMICAL RESEARCH IN TOXICOLOGY

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

Results of a round-robin exercise on read-across

(2016) E. Benfenati et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Toxicity of cobalt oxide nanoparticles to normal cells; an in vitro and in vivo study

(2015) Sourav Chattopadhyay et al.   CHEMICO-BIOLOGICAL INTERACTIONS

On a simple approach for determining applicability domain of QSAR models

(2015) Kunal Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

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

A strategy for structuring and reporting a read-across prediction of toxicity

(2015) T.W. Schultz et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Nanotoxicology of Metal Oxide Nanoparticles

(2015) Amedea Seabra et al.   Metals

Surface Chemistry of Gold Nanoparticles Mediates Their Exocytosis in Macrophages

(2014) Nuri Oh et al.   ACS Nano

Principal component analysis

(2014) Rasmus Bro et al.   Analytical Methods

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

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

A strategy for grouping of nanomaterials based on key physico-chemical descriptors as a basis for safer-by-design NMs

(2014) Iseult Lynch et al.   Nano Today

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

A framework to facilitate consistent characterization of read across uncertainty

(2014) Karen Blackburn et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Automated and reproducible read-across like models for predicting carcinogenic potency

(2014) Elena Lo Piparo et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

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

Read-across approaches - misconceptions, promises and challenges ahead

(2014) Grace Patlewicz   ALTEX-Alternatives to Animal Experimentation

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

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

Applicability Domain Dependent Predictive Uncertainty in QSAR Regressions

(2013) U. Sahlin et al.   Molecular Informatics

Evaluation criteria for the quality of published experimental data on nanomaterials and their usefulness for QSAR modelling

(2013) L. Lubinski et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

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

Advancing risk assessment of engineered nanomaterials: Application of computational approaches

(2012) Agnieszka Gajewicz et al.   ADVANCED DRUG DELIVERY REVIEWS

Applying quantitative structure–activity relationship approaches to nanotoxicology: Current status and future potential

(2012) David A. Winkler et al.   TOXICOLOGY

Mapping the Surface Adsorption Forces of Nanomaterials in Biological Systems

(2011) Xin R. Xia et al.   ACS Nano

Optimally splitting cases for training and testing high dimensional classifiers

(2011) Kevin K Dobbin et al.   BMC Medical Genomics

Further exploring rm2 metrics for validation of QSPR models

(2011) Probir Kumar Ojha et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Exploring Quantitative Nanostructure-Activity Relationships (QNAR) Modeling as a Tool for Predicting Biological Effects of Manufactured Nanoparticles

(2011) Denis Fourches et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Quantitative Read-Across for Predicting the Acute Fish Toxicity of Organic Compounds

(2011) Gerrit Schüürmann et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient

(2011) Nicola Chirico et al.   Journal of Chemical Information and Modeling

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

(2011) Tomasz Puzyn et al.   Nature Nanotechnology

Nanotechnology and human health: risks and benefits

(2010) Anna Giulia Cattaneo et al.   JOURNAL OF APPLIED TOXICOLOGY

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

In vitro evaluation of cytotoxicity of engineered metal oxide nanoparticles

(2009) Xiaoke Hu et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Formation of Structural Categories to Allow for Read-Across for Teratogenicity

(2009) Steven J. Enoch et al.   Quantitative structure-activity relationships & combinatorial science

Formation of Categories from Structure−Activity Relationships To Allow Read-Across for Risk Assessment: Toxicity of α,β-Unsaturated Carbonyl Compounds

(2008) Yana K. Koleva et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Chemical reactivity indices and mechanism-based read-across for non-animal based assessment of skin sensitisation potential

(2007) David W. Roberts et al.   JOURNAL OF APPLIED TOXICOLOGY

Development and Evaluation of a QSPR Model for the Prediction of Diamagnetic Susceptibility

(2007) Antreas Afantitis et al.   Quantitative structure-activity relationships & combinatorial science