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

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

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

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

Design, synthesis and biological evaluation of novel thiazol-2-yl benzamide derivatives as glucokinase activators

(2018) Neha Charaya et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

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

Monte Carlo based modelling approach for designing and predicting cytotoxicity of 2-phenylindole derivatives against breast cancer cell line MCF7

(2018) Ruchi Gaikwad et al.   TOXICOLOGY IN VITRO

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

Use of The Index of Ideality of Correlation to improve predictive potential for biochemical endpoints

(2018) Andrey A. Toropov et al.   TOXICOLOGY MECHANISMS AND METHODS

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

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

Development of a Sigma-2 Receptor affinity filter through a Monte Carlo based QSAR analysis

(2017) Antonio Rescifina et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

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 modeling of bis-quinolinium and bis-isoquinolinium compounds as acetylcholine esterase inhibitors based on the Monte Carlo method—the implication for Myasthenia gravis treatment

(2016) Dušan Sokolović et al.   MEDICINAL CHEMISTRY RESEARCH

Structural Modifications of Benzimidazoles via Multi-Step Synthesis and Their Impact on Sirtuin-Inhibitory Activity

(2015) Yeong Keng Yoon et al.   ARCHIV DER PHARMAZIE

Monte Carlo method based QSAR modeling of maleimide derivatives as glycogen synthase kinase-3β inhibitors

(2015) Jelena V. Živković et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Simplified molecular input line entry system-based: QSAR modelling for MAP kinase-interacting protein kinase (MNK1)

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

Design and Synthesis of Acetylenyl Benzamide Derivatives as Novel Glucokinase Activators for the Treatment of T2DM

(2015) Kaapjoo Park et al.   ACS Medicinal Chemistry Letters

Discovery of 3-(4-methanesulfonylphenoxy)-N-[1-(2-methoxy-ethoxymethyl)-1H-pyrazol-3-yl]-5-(3-methylpyridin-2-yl)-benzamide as a novel glucokinase activator (GKA) for the treatment of type 2 diabetes mellitus

(2014) Kaapjoo Park et al.   BIOORGANIC & MEDICINAL CHEMISTRY

QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method

(2014) Alla P. Toropova et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Small-Molecule Allosteric Activation of Human Glucokinase in the Absence of Glucose

(2013) Joseph M. Bowler et al.   ACS Medicinal Chemistry Letters

The discovery of a novel series of glucokinase activators based on a pyrazolopyrimidine scaffold

(2012) Peter Bonn et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Discovery of a novel phenylethyl benzamide glucokinase activator for the treatment of type 2 diabetes mellitus

(2012) Kaapjoo Park et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Binding Kinetics of Glucose and Allosteric Activators to Human Glucokinase Reveal Multiple Conformational States

(2009) Mathias Antoine et al.   BIOCHEMISTRY

Investigation of Functionally Liver Selective Glucokinase Activators for the Treatment of Type 2 Diabetes

(2009) Gregory R. Bebernitz et al.   JOURNAL OF MEDICINAL CHEMISTRY

SAR, Pharmacokinetics, Safety, and Efficacy of Glucokinase Activating 2-(4-Sulfonylphenyl)-N-thiazol-2-ylacetamides: Discovery of PSN-GK1

(2008) Lisa S. Bertram et al.   JOURNAL OF MEDICINAL CHEMISTRY