Representing and describing nanomaterials in predictive nanoinformatics

Multiscale Modeling of Bio-Nano Interactions of Zero-Valent Silver Nanoparticles

(2022) Julia Subbotina et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Multi-Scale Modelling of Aggregation of TiO2 Nanoparticle Suspensions in Water

(2022) Giulia Mancardi et al.   Nanomaterials

Using adverse outcome pathways to contextualise (Q)SAR predictions for reproductive toxicity – A case study with aromatase inhibition

(2022) Alun Myden et al.   REPRODUCTIVE TOXICOLOGY

Nanomaterials: Quasi-SMILES as a flexible basis for regulation and environmental risk assessment

(2022) Alla P. Toropova et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Transcriptomics‐Based and AOP‐Informed Structure–Activity Relationships to Predict Pulmonary Pathology Induced by Multiwalled Carbon Nanotubes

(2021) Karolina Jagiello et al.   Small

Overcoming Roadblocks in Computational Roadmaps to The Future for Safe Nanotechnology

(2021) Ceyda Oksel Karakus et al.   Nano Futures

Novel QSAR Models for Molecular Initiating Event Modeling in Two Intersecting Adverse Outcome Pathways Based Pulmonary Fibrosis Prediction for Biocidal Mixtures

(2021) Myungwon Seo et al.   Toxics

A hard-sphere model of protein corona formation on spherical and cylindrical nanoparticles

(2021) Ian Rouse et al.   BIOPHYSICAL JOURNAL

Towards FAIR nanosafety data

(2021) Nina Jeliazkova et al.   Nature Nanotechnology

Environmental dimensions of the protein corona

(2021) Korin E. Wheeler et al.   Nature Nanotechnology

The NanoInformatics Knowledge Commons: Capturing spatial and temporal nanomaterial transformations in diverse systems

(2021) Jaleesia D. Amos et al.   NanoImpact

Grouping Hypotheses and an Integrated Approach to Testing and Assessment of Nanomaterials Following Oral Ingestion

(2021) Luisana Di Cristo et al.   Nanomaterials

Toxicity of manufactured nanomaterials

(2021) Yaping Liu et al.   Particuology

U1 snRNP regulates cancer cell migration and invasion in vitro

(2020) Jung-Min Oh et al.   Nature Communications

Adverse outcome pathways as a tool for the design of testing strategies to support the safety assessment of emerging advanced materials at the nanoscale

(2020) Sabina Halappanavar et al.   Particle and Fibre Toxicology

High-throughput, combinatorial synthesis of multimetallic nanoclusters

(2020) Yonggang Yao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Nanomaterial Metabolite Corona Determined Using a Quantitative Metabolomics Approach: A Pilot Study

(2020) Andrew J. Chetwynd et al.   Small

Role of Artificial Intelligence and Machine Learning in Nanosafety

(2020) David A. Winkler   Small

Prediction of Chronic Inflammation for Inhaled Particles: the Impact of Material Cycling and Quarantining in the Lung Epithelium

(2020) Hana Kokot et al.   ADVANCED MATERIALS

Key principles and operational practices for improved nanotechnology environmental exposure assessment

(2020) Claus Svendsen et al.   Nature Nanotechnology

In Silico Prediction of Protein Adsorption Energy on Titanium Dioxide and Gold Nanoparticles

(2020) Shada A. Alsharif et al.   Nanomaterials

Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform

(2020) Anastasios G. Papadiamantis et al.   Nanomaterials

Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?

(2020) Iseult Lynch et al.   Nanomaterials

Legal and practical challenges in classifying nanomaterials according to regulatory definitions

(2019) Martin Miernicki et al.   Nature Nanotechnology

Measuring particle size distribution of nanoparticle enabled medicinal products, the joint view of EUNCL and NCI-NCL. A step by step approach combining orthogonal measurements with increasing complexity

(2019) F. Caputo et al.   JOURNAL OF CONTROLLED RELEASE

Risk assessment of heterogeneous TiO2-based engineered nanoparticles (NPs): a QSTR approach using simple periodic table based descriptors

(2019) Joyita Roy et al.   Nanotoxicology

QSPR as a random event: solubility of fullerenes C[60] and C[70]

(2019) Alla P. Toropova et al.   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

Advanced tools for the safety assessment of nanomaterials

(2018) Bengt Fadeel et al.   Nature Nanotechnology

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

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

Towards the Development of Global Nano-Quantitative Structure–Property Relationship Models: Zeta Potentials of Metal Oxide Nanoparticles

(2018) Andrey Toropov et al.   Nanomaterials

Characterization of Nanoparticle Batch-To-Batch Variability

(2018) Sonja Mülhopt et al.   Nanomaterials

A nanoinformatics decision support tool for the virtual screening of gold nanoparticle cellular association using protein corona fingerprints

(2018) Antreas Afantitis et al.   Nanotoxicology

Insights into possibilities for grouping and read-across for nanomaterials in EU chemicals legislation

(2018) A. Mech et al.   Nanotoxicology

Catalyst discovery through megalibraries of nanomaterials

(2018) Edward J. Kluender et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Provenance information as a tool for addressing engineered nanoparticle reproducibility challenges

(2016) Donald R. Baer et al.   Biointerphases

Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action

(2016) Claire M. Ellison et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

How should the completeness and quality of curated nanomaterial data be evaluated?

(2016) Richard L. Marchese Robinson et al.   Nanoscale

Development of a novelin silicomodel of zeta potential for metal oxide nanoparticles: a nano-QSPR approach

(2016) Ewelina Wyrzykowska et al.   NANOTECHNOLOGY

Provenance information as a tool for addressing engineered nanoparticle reproducibility challenges

(2016) Donald R. Baer et al.   Biointerphases

Zeta Potential for Metal Oxide Nanoparticles: A Predictive Model Developed by a Nano-Quantitative Structure–Property Relationship Approach

(2015) Alicja Mikolajczyk et al.   CHEMISTRY OF MATERIALS

Quasi-SMILES and nano-QFAR: United model for mutagenicity of fullerene and MWCNT under different conditions

(2015) Andrey A. Toropov et al.   CHEMOSPHERE

How the “Liquid Drop” Approach Could Be Efficiently Applied for Quantitative Structure–Property Relationship Modeling of Nanofluids

(2015) Natalia Sizochenko et al.   Journal of Physical Chemistry C

Dissolution and biodurability: Important parameters needed for risk assessment of nanomaterials

(2015) Wells Utembe et al.   Particle and Fibre Toxicology

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

QSAR Modeling: Where Have You Been? Where Are You Going To?

(2013) Artem Cherkasov et al.   JOURNAL OF MEDICINAL CHEMISTRY

Heterogeneity in nanoparticles influences biodistribution and targeting

(2013) Isaac M Adjei et al.   Nanomedicine

Zebrafish High-Throughput Screening to Study the Impact of Dissolvable Metal Oxide Nanoparticles on the Hatching Enzyme, ZHE1

(2012) Sijie Lin et al.   Small

The Evolution of the Protein Corona around Nanoparticles: A Test Study

(2011) Martin Lundqvist et al.   ACS Nano

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

(2011) Tomasz Puzyn et al.   Nature Nanotechnology

Quantitative Nanostructure−Activity Relationship Modeling

(2010) Denis Fourches et al.   ACS Nano

Towards a knowledge-based Human Protein Atlas

(2010) Mathias Uhlen et al.   NATURE BIOTECHNOLOGY