Nano(Q)SAR: Challenges, pitfalls and perspectives

Nanoinformatics: Emerging Databases and Available Tools

(2014) Suresh Panneerselvam et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

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

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

(2013) Andrey A. Toropov et al.   CHEMOSPHERE

Developing Descriptors To Predict Mechanical Properties of Nanotubes

(2013) Tammie L. Borders et al.   Journal of Chemical Information and Modeling

Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals

(2013) Kamel Mansouri et al.   Journal of Chemical Information and Modeling

A comparative study of submicron particle sizing platforms: Accuracy, precision and resolution analysis of polydisperse particle size distributions

(2013) Will Anderson et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Daphnia and fish toxicity of (benzo)triazoles: Validated QSAR models, and interspecies quantitative activity–activity modelling

(2013) Stefano Cassani et al.   JOURNAL OF HAZARDOUS MATERIALS

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

A Large-Scale Empirical Evaluation of Cross-Validation and External Test Set Validation in (Q)SAR

(2013) Martin Gütlein et al.   Molecular Informatics

Development of structure–activity relationship for metal oxide nanoparticles

(2013) Rong Liu et al.   Nanoscale

Principal component and causal analysis of structural and acutein vitrotoxicity data for nanoparticles

(2013) Xue Z. Wang et al.   Nanotoxicology

Nanoparticle dispersity in toxicology

(2013) Mohammed Baalousha et al.   Nature Nanotechnology

We need answers

(2013) Ratna Tantra et al.   Nature Nanotechnology

Broaden the discussion

(2013) Bengt Fadeel et al.   Nature Nanotechnology

A tiered approach

(2013) Maxine J. McCall et al.   Nature Nanotechnology

Use of category approaches, read-across and (Q)SAR: General considerations

(2013) Grace Patlewicz et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

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

Nano-SAR Development for Bioactivity of Nanoparticles with Considerations of Decision Boundaries

(2013) Rong Liu et al.   Small

Toxicity of nanomaterials: Availability and suitability of data for the development of in silico models

(2013) Andrea-Nicole Richarz et al.   TOXICOLOGY LETTERS

Advancing risk assessment of engineered nanomaterials: Application of computational approaches

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

Use and perceived benefits and barriers of QSAR models for REACH: findings from a questionnaire to stakeholders

(2012) Claire Mays et al.   Chemistry Central Journal

Engineered nanomaterial risk. Lessons learnt from completed nanotoxicology studies: potential solutions to current and future challenges

(2012) Helinor Johnston et al.   CRITICAL REVIEWS IN TOXICOLOGY

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

Non-invasive determination of cellular oxygen consumption as novel cytotoxicity assay for nanomaterials

(2012) Andrea Neumeyer et al.   Nanotoxicology

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

(2012) David A. Winkler et al.   TOXICOLOGY

Quantitative Nanostructure–Activity Relationship modelling of nanoparticles

(2012) Yi Ting Chau et al.   RSC Advances

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

Improving the Interferences of Methyl Thiazolyl Tetrazolium and IL-8 Assays in Assessing the Cytotoxicity of Nanoparticles

(2011) I-Lun Hsiao et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

NIST gold nanoparticle reference materials do not induce oxidative DNA damage

(2011) Bryant C. Nelson et al.   Nanotoxicology

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

(2011) Tomasz Puzyn et al.   Nature Nanotechnology

Assessing the reproductive toxicity of some (con)azole compounds using a structure–activity relationship approach

(2011) M. Bolčič–Tavčar et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Non-testing approaches under REACH – help or hindrance? Perspectives from a practitioner within industry

(2011) G. Patlewicz et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Exploring an ecotoxicity database with the OECD (Q)SAR Toolbox and DRAGON descriptors in order to prioritise testing on algae, daphnids, and fish

(2011) Cleo Tebby et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Classification NanoSAR Development for Cytotoxicity of Metal Oxide Nanoparticles

(2011) Rong Liu et al.   Small

QSAR modeling of nanomaterials

(2011) Enrico Burello et al.   Wiley Interdisciplinary Reviews-Nanomedicine and Nanobiotechnology

Quantitative Nanostructure−Activity Relationship Modeling

(2010) Denis Fourches et al.   ACS Nano

Use of a (Quantitative) Structure–Activity Relationship [(Q)Sar] Model to Predict the Toxicity of Naphthenic Acids

(2010) Richard A. Frank et al.   JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES

Endotoxin contamination of engineered nanomaterials

(2010) R. Keith Esch et al.   Nanotoxicology

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

(2010) Enrico Burello et al.   Nanotoxicology

Molecular Determinants of Juvenile Hormone Action as Revealed by 3D QSAR Analysis in Drosophila

(2009) Denisa Liszeková et al.   PLoS One

Mechanism-based categorization of aromatase inhibitors: a potential discovery and screening tool

(2009) P.I. Petkov et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Nanomaterials for environmental studies: Classification, reference material issues, and strategies for physico-chemical characterisation

(2009) Vicki Stone et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Toward the Development of “Nano-QSARs”: Advances and Challenges

(2009) Tomasz Puzyn et al.   Small

Robust Cross-Validation of Linear Regression QSAR Models

(2008) Dmitry A. Konovalov et al.   Journal of Chemical Information and Modeling

The Use of (Q)SAR Methods in the Context of REACH

(2008) Uwe Lahl et al.   TOXICOLOGY MECHANISMS AND METHODS

Predictivity and Reliability of QSAR Models: The Case of Mutagens and Carcinogens

(2008) Romualdo Benigni et al.   TOXICOLOGY MECHANISMS AND METHODS

Structure–activity relationship analysis tools: Validation and applicability in predicting carcinogens

(2007) J. Mayer et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY