Fullerenes C60 and C70: a model for solubility by applying the correlation intensity index

The cytotoxicity of nanomaterials: Modeling multiple human cells uptake of functionalized magneto-fluorescent nanoparticles via nano-QSAR

(2020) Ronghua Qi et al.   CHEMOSPHERE

Development and Design of Novel Cardiovascular Therapeutics Based on Rho Kinase Inhibition - In Silico Approach

(2019) Snezana Ćirić Zdravković et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Does the Index of Ideality of Correlation Detect the Better Model Correctly?

(2019) Alla P. Toropova et al.   Molecular Informatics

Combinations of graph invariants and attributes of simplified molecular input-line entry system (SMILES) to build up models for sweetness

(2019) P.G.R. Achary et al.   FOOD RESEARCH INTERNATIONAL

QSPR and nano-QSPR: What is the difference?

(2019) Alla P. Toropova et al.   JOURNAL OF MOLECULAR STRUCTURE

The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models

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

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

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

Solubility, Thermal Analysis, and Association of the bis-Adducts of Light C60 Fullerene and Amino Acids Lysine, Threonine, and Hydroxyproline in Aqueous Solutions

(2019) K. N. Semenov et al.   Russian Journal of Physical Chemistry A

In silico design of diacylglycerol acyltransferase-1 (DGAT1) inhibitors based on SMILES descriptors using Monte-Carlo method

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

Nucleobase sequence based building up of reliable QSAR models with the index of ideality correlation using Monte Carlo method

(2019) Parvin Kumar et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

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

Predictive modeling: Solubility of C 60 and C 70 fullerenes in diverse solvents

(2018) Shikha Gupta et al.   CHEMOSPHERE

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

(2018) Andrey Toropov et al.   Nanomaterials

Use of the index of ideality of correlation to improve models of eco-toxicity

(2018) Alla P. Toropova et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

The index of ideality of correlation: improvement of models for toxicity to algae

(2018) Alla P. Toropova et al.   NATURAL PRODUCT RESEARCH

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

The index of ideality of correlation: A criterion of predictability of QSAR models for skin permeability?

(2017) Alla P. Toropova et al.   SCIENCE OF THE TOTAL ENVIRONMENT

QSAR study of 2,4-dihydro-3H-1,2,4-triazol-3-ones derivatives as angiotensin II AT1 receptor antagonists based on the Monte Carlo method

(2017) Viktor Stoičkov et al.   STRUCTURAL CHEMISTRY

Accurate model to predict the solubility of fullerene C60 in organic solvents by using support vector regression

(2016) Wen-De Cheng et al.   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

Predicting solubility of fullerene C 60 in diverse organic solvents using norm indexes

(2016) Xiangying Xu et al.   JOURNAL OF MOLECULAR LIQUIDS

Size- and coating-dependent cytotoxicity and genotoxicity of silver nanoparticles evaluated usingin vitrostandard assays

(2016) Xiaoqing Guo et al.   Nanotoxicology

Quasi-QSAR for mutagenic potential of multi-walled carbon-nanotubes

(2015) Andrey A. Toropov et al.   CHEMOSPHERE

Double Variational Binding—(SMILES) Conformational Analysis by Docking Mechanisms for Anti-HIV Pyrimidine Ligands

(2015) Mihai Putz et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

The rm2 metrics and regression through origin approach: Reliable and useful validation tools for predictive QSAR models (Commentary on ‘Is regression through origin useful in external validation of QSAR models?’)

(2014) Kunal Roy et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Is regression through origin useful in external validation of QSAR models?

(2014) Ali Shayanfar et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Determining Chemical Reactivity Driving Biological Activity from SMILES Transformations: The Bonding Mechanism of Anti-HIV Pyrimidines

(2013) Mihai Putz et al.   MOLECULES

Variational principles for mechanistic quantitative structure–activity relationship (QSAR) studies: application on uracil derivatives’ anti-HIV action

(2013) Mihai V. Putz et al.   STRUCTURAL CHEMISTRY

Alignment Independent 3D-QSAR Modeling of Fullerene (C60) Solubility in Different Organic Solvents

(2012) Jahan B. Ghasemi et al.   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

Quantitative structure–retention relationship study of analgesic drugs by application of combined data splitting-feature selection strategy and genetic algorithm-partial least square

(2012) Bahram Hemmateenejad et al.   Journal of the Iranian Chemical Society

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

CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats

(2011) A. P. Toropova et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY