Computer-aided design of carbon nanotubes with the desired bioactivity and safety profiles

Chemical Basis of Interactions Between Engineered Nanoparticles and Biological Systems

(2014) Qingxin Mu et al.   CHEMICAL REVIEWS

Perturbation of physiological systems by nanoparticles

(2014) Yi Zhang et al.   CHEMICAL SOCIETY REVIEWS

QSAR model for cytotoxicity of SiO2 nanoparticles on human lung fibroblasts

(2014) Alla P. Toropova et al.   JOURNAL OF NANOPARTICLE RESEARCH

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

(2014) Feng Luan et al.   Nanoscale

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

(2014) Agnieszka Gajewicz et al.   Nanotoxicology

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

Nanoparticle dispersity in toxicology

(2013) Mohammed Baalousha et al.   Nature Nanotechnology

Protein binding modulates the cellular uptake of silver nanoparticles into human cells: Implications for in vitro to in vivo extrapolations?

(2013) Nancy A. Monteiro-Riviere et al.   TOXICOLOGY LETTERS

Oxidative Stress and Dermal Toxicity of Iron Oxide Nanoparticles In Vitro

(2012) Ashley R. Murray et al.   CELL BIOCHEMISTRY AND BIOPHYSICS

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

Recent advances in graphene family materials toxicity investigations

(2012) Agnieszka Maria Jastrzębska et al.   JOURNAL OF NANOPARTICLE RESEARCH

Modeling Biological Activities of Nanoparticles

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

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

Editorial [Hot Topic: Nano-Combinatorial Chemistry and Associated Technologies (Guest Editor: Bing Yan)]

(2011) Bing Yan   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

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

Predicting toxicity of nanoparticles

(2011) Enrico Burello et al.   Nature Nanotechnology

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

(2011) Tomasz Puzyn et al.   Nature Nanotechnology

Construction of coherent nano quantitative structure–properties relationships (nano-QSPR) models and catastrophe theory

(2011) R. Carbó-Dorca et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Quantitative Nanostructure−Activity Relationship Modeling

(2010) Denis Fourches et al.   ACS Nano

Modeling Liver-Related Adverse Effects of Drugs UsingkNearest Neighbor Quantitative Structure−Activity Relationship Method

(2010) Amie D. Rodgers et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Functionalized carbon nanotubes for potential medicinal applications

(2010) Yi Zhang et al.   DRUG DISCOVERY TODAY

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

(2010) Denis Fourches et al.   Journal of Chemical Information and Modeling

Nano-Combinatorial Chemistry Strategy for Nanotechnology Research

(2010) Gaoxing Su et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Repeated administrations of carbon nanotubes in male mice cause reversible testis damage without affecting fertility

(2010) Yuhong Bai et al.   Nature Nanotechnology

Nanotechnologies, engineered nanomaterials and occupational health and safety – A review

(2010) K. Savolainen et al.   SAFETY SCIENCE

The effect of multiwalled carbon nanotube agglomeration on their accumulation in and damage to organs in mice

(2009) Guangbo Qu et al.   CARBON

Cheminformatics Analysis of Assertions Mined from Literature That Describe Drug-Induced Liver Injury in Different Species

(2009) Denis Fourches et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Functionalized Carbon Nanotubes Specifically Bind to α-Chymotrypsin’s Catalytic Site and Regulate Its Enzymatic Function

(2009) Bin Zhang et al.   NANO LETTERS

Understanding biophysicochemical interactions at the nano–bio interface

(2009) Andre E. Nel et al.   NATURE MATERIALS

Nanotechnology, energy and markets

(2009) Richard Jones   Nature Nanotechnology

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

(2009) Tomasz Puzyn et al.   Small

Weighted Feature Significance: A Simple, Interpretable Model of Compound Toxicity Based on the Statistical Enrichment of Structural Features

(2009) Ruili Huang et al.   TOXICOLOGICAL SCIENCES

ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

(2008) Alexandre Varnek et al.   Current Computer-Aided Drug Design

Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery

(2008) Santiago Vilar et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Inhalation toxicity studies: OECD guidelines in relation to REACH and scientific developments

(2008) Josje H.E. Arts et al.   EXPERIMENTAL AND TOXICOLOGIC PATHOLOGY

Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis

(2008) Hao Zhu et al.   Journal of Chemical Information and Modeling

Charge Density Effects on the Aggregation Properties of Poly(p-phenylene-ethynylene)-Based Anionic Polyelectrolytes

(2008) Mingyan Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Statistical Significance of Clustering for High-Dimension, Low–Sample Size Data

(2008) Yufeng Liu et al.   JOURNAL OF THE AMERICAN STATISTICAL ASSOCIATION

A Nano-Combinatorial Library Strategy for the Discovery of Nanotubes with Reduced Protein-Binding, Cytotoxicity, and Immune Response

(2008) Hongyu Zhou et al.   NANO LETTERS

Nanomaterial cell interactions: how do carbon nanotubes affect cell physiology?

(2008) Jean-Pierre Kaiser et al.   Nanomedicine