Protective rules of natural antioxidants against gamma‐induced damage—A review

QY Jameel, NK Mohammed - Food Science & Nutrition, 2021 - Wiley Online Library
Phytochemicals accessible in food have demonstrated efficiency against impairment by
gamma radiation. The review presented here is an attempt to show the pharmacological …

Quantitative structure activity relationship studies of novel hydrazone derivatives as α-amylase inhibitors with index of ideality of correlation

M Duhan, J Sindhu, P Kumar, M Devi… - Journal of …, 2022 - Taylor & Francis
The present manuscript describes the synthesis, α-amylase inhibition, in silico studies and in-
depth quantitative structure–activity relationship (QSAR) of a library of aroyl hydrazones …

The Monte Carlo approach to model and predict the melting point of imidazolium ionic liquids using hybrid optimal descriptors

S Lotfi, S Ahmadi, P Kumar - RSC advances, 2021 - pubs.rsc.org
Ionic liquids (ILs) have captured intensive attention owing to their unique properties such as
high thermal stability, negligible vapour pressure, high dissolution capacity and high ionic …

Monte Carlo based QSGFEAR: prediction of Gibb's free energy of activation at different temperatures using SMILES based descriptors

R Singh, P Kumar, M Devi, S Lal, A Kumar… - New Journal of …, 2022 - pubs.rsc.org
In the present manuscript, we have endeavored to construct quantitative structure Gibb's free
energy of activation relationship (QSGFEAR) models having general applicability and …

QSRR modelling for the investigation of gas chromatography retention indices of flavour and fragrance compounds on Carbowax 20​ M glass capillary column with …

A Kumar, P Kumar, D Singh - Chemometrics and Intelligent Laboratory …, 2022 - Elsevier
The goal of the present study was to use a quantitative structure-retention relationship
(QSRR) for the retention indices of 1179 flavour and fragrance organic compounds using the …

A hybrid descriptor based QSPR model to predict the thermal decomposition temperature of imidazolium ionic liquids using Monte Carlo approach

S Lotfi, S Ahmadi, P Kumar - Journal of Molecular Liquids, 2021 - Elsevier
The thermal hazard, has become one of the basic characteristics of different Ionic Liquids
(ILs). The thermal decomposition of ionic liquids (ILs) is also an important aspect to evaluate …

Quantitative structure–toxicity relationship models for predication of toxicity of ionic liquids toward leukemia rat cell line IPC-81 based on index of ideality of correlation

S Ahmadi, S Lotfi, P Kumar - Toxicology Mechanisms and Methods, 2022 - Taylor & Francis
The application of ionic liquids (ILs) as green solvents has attracted the attention of the
scientific community. However, ILs may play the role of toxins. Even though ionic liquids may …

CORAL: Monte Carlo based global QSAR modelling of Bruton tyrosine kinase inhibitors using hybrid descriptors

S Ahmadi, S Lotfi, S Afshari, P Kumar… - SAR and QSAR in …, 2021 - Taylor & Francis
Global QSAR modelling was performed to predict the pIC50 values of 233 diverse
heterocyclic compounds as BTK inhibitors with the Monte Carlo algorithm of CORAL …

CORAL: Quantitative Structure Retention Relationship (QSRR) of flavors and fragrances compounds studied on the stationary phase methyl silicone OV-101 column …

P Kumar, A Kumar, S Lal, D Singh, S Lotfi… - Journal of Molecular …, 2022 - Elsevier
The quantitative structure-retention relationship (QSRR) is a significant approach in
chromatography and is used to predict the retention time of unknown compounds. In the …

Quantitative structure toxicity analysis of ionic liquids toward acetylcholinesterase enzyme using novel QSTR models with index of ideality of correlation and …

A Kumar, P Kumar - Journal of Molecular Liquids, 2020 - Elsevier
Ionic liquids (ILs) have enticed the curiosity of chemists due to their vast applications in
academic and industrial research. These have many advantages over other conventional …