Accurate and interpretable nanoSAR models from genetic programming-based decision tree construction approaches

Engineered nanomaterials for water treatment and remediation: Costs, benefits, and applicability

(2016) Adeyemi S. Adeleye et al.   CHEMICAL ENGINEERING JOURNAL

Discovery and Optimization of Materials Using Evolutionary Approaches

(2016) Tu C. Le et al.   CHEMICAL REVIEWS

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

(2016) David A. Winkler   TOXICOLOGY AND APPLIED PHARMACOLOGY

Robust Prediction of Personalized Cell Recognition from a Cancer Population by a Dual Targeting Nanoparticle Library

(2015) Tu C. Le et al.   ADVANCED FUNCTIONAL MATERIALS

Applications of nanoparticles in cancer medicine and beyond: optical and multimodalin vivoimaging, tissue targeting and drug delivery

(2015) Stefania Biffi et al.   Expert Opinion on Drug Delivery

Difficulties in establishing regulations for engineered nanomaterials and considerations for policy makers: avoiding an unbalance between benefits and risks

(2015) Luis Guillermo Garduño-Balderas et al.   JOURNAL OF APPLIED TOXICOLOGY

Deep Neural Nets as a Method for Quantitative Structure–Activity Relationships

(2015) Junshui Ma et al.   Journal of Chemical Information and Modeling

Applications of Nanomaterials in Food Packaging

(2015) Nattinee Bumbudsanpharoke et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Prediction of nanoparticles-cell association based on corona proteins and physicochemical properties

(2015) Rong Liu et al.   Nanoscale

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

(2015) Denis Fourches et al.   Nanotoxicology

(Q)SAR modelling of nanomaterial toxicity: A critical review

(2015) Ceyda Oksel et al.   Particuology

Current situation on the availability of nanostructure–biological activity data

(2015) C. Oksel et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

An ISA-TAB-Nano based data collection framework to support data-driven modelling of nanotoxicology

(2015) Richard L Marchese Robinson et al.   Beilstein Journal of Nanotechnology

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

(2015) Natalia Sizochenko et al.   RSC Advances

Using nano-QSAR to determine the most responsible factor(s) in gold nanoparticle exocytosis

(2015) Arafeh Bigdeli et al.   RSC Advances

Surface Chemistry of Gold Nanoparticles Mediates Their Exocytosis in Macrophages

(2014) Nuri Oh et al.   ACS Nano

Impact of nanoparticles on human and environment: review of toxicity factors, exposures, control strategies, and future prospects

(2014) Muhammad Sajid et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Probing enzyme-nanoparticle interactions using combinatorial gold nanoparticle libraries

(2014) Yanyan Liu et al.   Nano 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

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

Computational Modeling and Prediction of the Complex Time-Dependent Phase Behavior of Lyotropic Liquid Crystals under in Meso Crystallization Conditions

(2013) Tu C. Le et al.   CRYSTAL GROWTH & DESIGN

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

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

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

(2013) Rong Liu et al.   Small

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

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

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

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

(2011) Tomasz Puzyn et al.   Nature Nanotechnology

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

Computational methods to predict the reactivity of nanoparticles through structure–property relationships

(2010) Albert Poater et al.   Expert Opinion on Drug Delivery

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

(2010) Enrico Burello et al.   Nanotoxicology

Comparative Study of Predictive Computational Models for Nanoparticle-Induced Cytotoxicity

(2010) Christie Sayes et al.   RISK ANALYSIS

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

(2009) Tomasz Puzyn et al.   Small

Optimal Sparse Descriptor Selection for QSAR Using Bayesian Methods

(2009) F. R. Burden et al.   Quantitative structure-activity relationships & combinatorial science

Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations

(2008) Serdar Durdagi et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Developing and validating predictive decision tree models from mining chemical structural fingerprints and high–throughput screening data in PubChem

(2008) Lianyi Han et al.   BMC BIOINFORMATICS