“Ideal correlations” for the predictive toxicity to Tetrahymena pyriformis

Prediction of chemical toxicity to Tetrahymena pyriformis with four-descriptor models

(2020) Xinliang Yu   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

The using of the Index of Ideality of Correlation (IIC) to improve predictive potential of models of water solubility for pesticides

(2020) Alla P. Toropova et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

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

Good and Bad Molecular fingerprints for human rhinovirus 3C protease inhibition: Identification, validation and application in designing of new inhibitors through Monte Carlo-based QSAR study

(2019) Sanskar Jain et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

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

Design and development of novel therapeutics for brucellosis treatment based on carbonic anhydrase inhibition

(2019) Vanja P. Ničković et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

Use of the index of ideality of correlation to improve aquatic solubility model

(2019) Andrey A. Toropov et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

QSAR models for predicting acute toxicity of pesticides in rainbow trout using the CORAL software and EFSA’s OpenFoodTox database

(2017) Andrey A. Toropov et al.   ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY

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

Food for thought … on in silico methods in toxicology

(2016) Thomas Hartung   ALTEX-Alternatives to Animal Experimentation

Predicting the cytotoxicity of ionic liquids using QSAR model based on SMILES optimal descriptors

(2015) Abdolmohammad Ghaedi   JOURNAL OF MOLECULAR LIQUIDS

3D-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches

(2014) M. Salahinejad et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

QSPR modelling of dielectric constants of π-conjugated organic compounds by means of the CORAL software

(2014) P.G.R. Achary   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Simplified molecular input line entry system-based optimal descriptors: QSAR modelling for voltage-gated potassium channel subunit Kv7.2

(2014) P. Ganga Raju Achary   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Cross-validation is dead. Long live cross-validation! Model validation based on resampling

(2010) Knut Baumann   Journal of Cheminformatics

QSAR modelling of the toxicity to Tetrahymena pyriformis by balance of correlations

(2009) A. A. Toropov et al.   MOLECULAR DIVERSITY

QSAR: dead or alive?

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