Cytotoxicity of quantum dots: Use of quasiSMILES in development of reliable models with index of ideality of correlation and the consensus modelling

CORAL: QSAR models of CB1 cannabinoid receptor inhibitors based on local and global SMILES attributes with the index of ideality of correlation and the correlation contradiction index

(2020) Parvin Kumar et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Construction of pioneering quantitative structure activity relationship screening models for abuse potential of designer drugs using index of ideality of correlation in monte carlo optimization

(2020) Ashwani Kumar et al.   ARCHIVES OF TOXICOLOGY

Development of prediction model for fructose- 1,6- bisphosphatase inhibitors using the Monte Carlo method

(2019) Manisha et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Quantum Dot Light‐Emitting Transistors—Powerful Research Tools and Their Future Applications

(2019) Simon Kahmann et al.   ADVANCED FUNCTIONAL MATERIALS

The Correlation Contradictions Index (CCI): Building up reliable models of mutagenic potential of silver nanoparticles under different conditions using quasi-SMILES

(2019) Andrey A. Toropov et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Mathematical modeling of cytotoxicity of metal oxide nanoparticles using the index of ideality correlation criteria

(2019) Shahin Ahmadi   CHEMOSPHERE

Nano-(Q)SAR for Cytotoxicity Prediction of Engineered Nanomaterials

(2019) Andrey A. Buglak et al.   MOLECULES

The index of ideality of correlation: A statistical yardstick for better QSAR modeling of glucokinase activators

(2019) Manisha Nimbhal et al.   STRUCTURAL CHEMISTRY

Quasi-SMILES-Based Nano-Quantitative Structure–Activity Relationship Model to Predict the Cytotoxicity of Multiwalled Carbon Nanotubes to Human Lung Cells

(2018) Tung Xuan Trinh et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Use of Simplified Molecular Input Line Entry System and molecular graph based descriptors in prediction and design of pancreatic lipase inhibitors

(2018) Ashwani Kumar et al.   Future Medicinal Chemistry

Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?

(2018) Kunal Roy et al.   JOURNAL OF CHEMOMETRICS

CORAL: building up QSAR models for the chromosome aberration test

(2018) Andrey A. Toropov et al.   SAUDI JOURNAL OF BIOLOGICAL SCIENCES

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

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

Quantum dots: Applications and safety consequences

(2018) V.G. Reshma et al.   JOURNAL OF LUMINESCENCE

Quasi-QSAR for predicting the cell viability of human lung and skin cells exposed to different metal oxide nanomaterials

(2018) Jang-Sik Choi et al.   CHEMOSPHERE

The index of ideality of correlation: A criterion of predictive potential of QSPR/QSAR models?

(2017) Andrey A. Toropov et al.   MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS

Meta-analysis of cellular toxicity for cadmium-containing quantum dots

(2016) Eunkeu Oh et al.   Nature Nanotechnology

In silico toxicology: computational methods for the prediction of chemical toxicity

(2016) Arwa B. Raies et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

QSAR modeling for predicting reproductive toxicity of chemicals in rats for regulatory purposes

(2016) Nikita Basant et al.   Toxicology Research

On a simple approach for determining applicability domain of QSAR models

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

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

(2015) Andrey A. Toropov et al.   CHEMOSPHERE

Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials

(2015) Andrey Toropov et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Triblock Copolymer-Encapsulated Nanoparticles with Outstanding Colloidal Stability for siRNA Delivery

(2013) Jian Qian et al.   ACS Applied Materials & Interfaces

Selecting Improved Peptidyl Motifs for Cytosolic Delivery of Disparate Protein and Nanoparticle Materials

(2013) Kelly Boeneman et al.   ACS Nano

Two-Photon Ratiometric Fluorescent Sensor Based on Specific Biomolecular Recognition for Selective and Sensitive Detection of Copper Ions in Live Cells

(2013) Yan Fu et al.   ANALYTICAL CHEMISTRY

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

(2013) Andrey A. Toropov et al.   CHEMOSPHERE

The role of ligand coordination on the cytotoxicity of cationic quantum dots in HeLa cells

(2013) Yi-Cheun Yeh et al.   Nanoscale

Metabolic biotransformation half-lives in fish: QSAR modeling and consensus analysis

(2013) Ester Papa et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Folic Acid Functionalized Nanoprobes for Fluorescence-, Dark-Field-, and Dual-Imaging-Based Selective Detection of Cancer Cells and Tissue

(2013) Amit Ranjan Maity et al.   ChemPlusChem

CORAL: QSPR model of water solubility based on local and global SMILES attributes

(2012) Andrey A. Toropov et al.   CHEMOSPHERE

Targeted quantum dots fluorescence probes functionalized with aptamer and peptide for transferrin receptor on tumor cells

(2012) Ming-Zhen Zhang et al.   NANOTECHNOLOGY

Synthetic development of cell-permeable polymer colloids decorated with nanocrystal imaging probes optimized for cell tracking

(2012) Dev S. Chahal et al.   Chemical Science

CORAL: QSAR modeling of toxicity of organic chemicals towards Daphnia magna

(2011) A.P. Toropova et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Chemical nature and structure of organic coating of quantum dots is crucial for their application in imaging diagnostics

(2011) Bakalova et al.   International Journal of Nanomedicine

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

Application of Quantum Dots in Biological Imaging

(2011) Shan Jin et al.   Journal of Nanomaterials

Synthesis of Highly Stable CdTe/CdS Quantum Dots with Biocompatibility

(2010) Ying-Fan Liu et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure

(2010) Ester Papa et al.   GREEN CHEMISTRY

Special method to prepare quantum dot probes with reduced cytotoxicity and increased optical property

(2010) Hai-Li Zhang et al.   JOURNAL OF BIOMEDICAL OPTICS

Synthesis and grafting of folate–PEG–PAMAM conjugates onto quantum dots for selective targeting of folate-receptor-positive tumor cells

(2010) Yili Zhao et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Preparation and Characterization of CdSe/ZnS Quantum Dots Encapsulated in Poly(ethylene glycol)-b-Poly(D,L-lactide) Micelle Nanoparticles

(2010) Joohyeon Lee et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Polyvalent Lactose−Quantum Dot Conjugate for Fluorescent Labeling of Live Leukocytes

(2010) Min Yu et al.   LANGMUIR

CdSe/CdS/ZnS Double Shell Nanorods with High Photoluminescence Efficiency and Their Exploitation As Biolabeling Probes

(2009) Sasanka Deka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bioconjugation of Rod-Shaped Fluorescent Nanocrystals for Efficient Targeted Cell Labeling

(2009) Alessandra Quarta et al.   LANGMUIR

Multimodal Silica-Shelled Quantum Dots: Direct Intracellular Delivery, Photosensitization, Toxic, and Microcirculation Effects

(2008) Rumiana Bakalova et al.   BIOCONJUGATE CHEMISTRY

Artificial Cell Membrane-Covered Nanoparticles Embedding Quantum Dots as Stable and Highly Sensitive Fluorescence Bioimaging Probes

(2008) Yusuke Goto et al.   BIOMACROMOLECULES

Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis

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