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

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

Prediction of gas chromatographic retention indices based on Monte Carlo method

(2017) Aleksandar M. Veselinović et al.   TALANTA

Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles

(2016) Andrey A. Toropov et al.   CHEMICAL PHYSICS LETTERS

The Monte Carlo technique as a tool to predict LOAEL

(2016) Jovana B. Veselinović et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Monte Carlo method for predicting of cardiac toxicity: hERG blocker compounds

(2016) Marco Gobbi et al.   TOXICOLOGY LETTERS

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

(2016) Nikita Basant et al.   Toxicology Research

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

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

A similarity-based QSAR model for predicting acute toxicity towards the fathead minnow (Pimephales promelas)

(2015) M. Cassotti 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

Multimolecular polyhedra and QSPR

(2014) Ramon Carbó-Dorca   JOURNAL OF MATHEMATICAL CHEMISTRY

QSAR Study of H1N1 Neuraminidase Inhibitors from Influenza a Virus

(2014) Apilak Worachartcheewan et al.   Letters in Drug Design & Discovery

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

(2013) Andrey A. Toropov et al.   CHEMOSPHERE

Development and validation of theoretical linear solvation energy relationship models for toxicity prediction to fathead minnow (pimephales promelas)

(2013) Felichesmi Lyakurwa et al.   CHEMOSPHERE

Predicting Concentrations of Organic Chemicals in Fish by Using Toxicokinetic Models

(2012) Julita Stadnicka et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Notes on quantitative structure-property relationships (QSPR), part 3: Density functions origin shift as a source of quantum QSPR algorithms in molecular spaces

(2012) Ramon Carbó-Dorca   JOURNAL OF COMPUTATIONAL CHEMISTRY

On further application of r m2 as a metric for validation of QSAR models

(2009) Indrani Mitra et al.   JOURNAL OF CHEMOMETRICS