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

Application of the Monte Carlo method for building up models for octanol-water partition coefficient of platinum complexes

(2018) Andrey A. Toropov et al.   CHEMICAL PHYSICS LETTERS

The anesthetic action of some polyhalogenated ethers—Monte Carlo method based QSAR study

(2018) Mlađan Golubović et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Quantitative Structure-activity Relationship Study of Betulinic Acid Derivatives Against HIV using SMILES-based Descriptors

(2018) Apilak Worachartcheewan et al.   Current Computer-Aided Drug Design

Use of quasi-SMILES to model biological activity of “micelle–polymer” samples

(2018) Andrey A. Toropov et al.   STRUCTURAL CHEMISTRY

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: hierarchy of Monte Carlo models for glass transition temperatures of polymers

(2018) Alla P. Toropova et al.   JOURNAL OF POLYMER RESEARCH

Predicting Cytotoxicity of 2-Phenylindole Derivatives Against Breast Cancer Cells Using Index of Ideality of Correlation

(2018) ANDREY A. TOROPOV et al.   ANTICANCER RESEARCH

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

Nano-QSAR in cell biology: Model of cell viability as a mathematical function of available eclectic data

(2017) Alla P. Toropova et al.   JOURNAL OF THEORETICAL BIOLOGY

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

Index of Ideality of Correlation: new possibilities to validate QSAR: a case study

(2017) Andrey A. Toropov et al.   STRUCTURAL CHEMISTRY

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

Building up a QSAR model for toxicity toward Tetrahymena pyriformis by the Monte Carlo method: A case of benzene derivatives

(2016) Alla P. Toropova et al.   ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY

A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology

(2016) Paola Gramatica et al.   Journal of Chemical Information and Modeling

QSAR model as a random event: A case of rat toxicity

(2015) Alla P. Toropova et al.   BIOORGANIC & MEDICINAL CHEMISTRY

QSPR studies on refractive indices of structurally heterogeneous polymers

(2015) Pablo R. Duchowicz 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

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

(2015) Andrey A. Toropov et al.   CHEMOSPHERE

QSPR study on refractive indices of solvents commonly used in polymer chemistry using flexible molecular descriptors

(2015) S.E. Fioressi et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

QSPR models for estimating retention in HPLC with the p solute polarity parameter based on the Monte Carlo method

(2015) Aleksandar M. Veselinović et al.   STRUCTURAL CHEMISTRY

QSAR as a random event: a case of NOAEL

(2014) Alla P. Toropova et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

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

(2013) Andrey A. Toropov et al.   CHEMOSPHERE

Optimal descriptor as a translator of eclectic data into endpoint prediction: Mutagenicity of fullerene as a mathematical function of conditions

(2013) Andrey A. Toropov et al.   CHEMOSPHERE

QSARINS: A new software for the development, analysis, and validation of QSAR MLR models

(2013) Paola Gramatica et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Introduction of rm2(rank) metric incorporating rank-order predictions as an additional tool for validation of QSAR/QSPR models

(2012) Kunal Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection

(2012) Nicola Chirico et al.   Journal of Chemical Information and Modeling

MIA–QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA–ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivatives

(2010) Mohammad Goodarzi et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Comments on the Definition of theQ2Parameter for QSAR Validation

(2009) Viviana Consonni et al.   Journal of Chemical Information and Modeling

QSAR: dead or alive?

(2008) Arthur M. Doweyko   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Exploring the impact of size of training sets for the development of predictive QSAR models

(2007) Partha Pratim Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy)

(2007) Stephen R. Johnson   Journal of Chemical Information and Modeling