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Citations (22)
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Read on this site (8)
Surbhi Goyal, Payal Rani, Monika Chahar, Khalid Hussain, Parvin Kumar & Jayant Sindhu. (2023) Quantitative structure activity relationship studies of androgen receptor binding affinity of endocrine disruptor chemicals with index of ideality of correlation, their molecular docking, molecular dynamics and ADME studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
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Meenakshi Duhan, Jayant Sindhu, Parvin Kumar, Meena Devi, Rahul Singh, Ramesh Kumar, Sohan Lal, Ashwani Kumar, Sudhir Kumar & Khalid Hussain. (2022) Quantitative structure activity relationship studies of novel hydrazone derivatives as α-amylase inhibitors with index of ideality of correlation. Journal of Biomolecular Structure and Dynamics 40:11, pages 4933-4953.
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A. Kumar & P. Kumar. (2021) Prediction of power conversion efficiency of phenothiazine-based dye-sensitized solar cells using Monte Carlo method with index of ideality of correlation. SAR and QSAR in Environmental Research 32:10, pages 817-834.
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Ashwani Kumar, Jayant Sindhu & Parvin Kumar. (2021) In-silico identification of fingerprint of pyrazolyl sulfonamide responsible for inhibition of N-myristoyltransferase using Monte Carlo method with index of ideality of correlation. Journal of Biomolecular Structure and Dynamics 39:14, pages 5014-5025.
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Meenakshi Duhan, Rahul Singh, Meena Devi, Jayant Sindhu, Rimpy Bhatia, Ashwani Kumar & Parvin Kumar. (2021) Synthesis, molecular docking and QSAR study of thiazole clubbed pyrazole hybrid as α-amylase inhibitor. Journal of Biomolecular Structure and Dynamics 39:1, pages 91-107.
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Alla P. Toropova & Andrey A. Toropov. (2020) Fullerenes C60 and C70: a model for solubility by applying the correlation intensity index. Fullerenes, Nanotubes and Carbon Nanostructures 28:11, pages 900-906.
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Kiran Bagri, Ashwani Kumar, Manisha Nimbhal & Parvin Kumar. (2020) Index of ideality of correlation and correlation contradiction index: a confluent perusal on acetylcholinesterase inhibitors. Molecular Simulation 46:10, pages 777-786.
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P. Kumar, A. Kumar & J. Sindhu. (2019) In silico design of diacylglycerol acyltransferase-1 (DGAT1) inhibitors based on SMILES descriptors using Monte-Carlo method. SAR and QSAR in Environmental Research 30:8, pages 525-541.
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Articles from other publishers (14)
Surbhi Goyal, Payal Rani, Monika Chahar, Khalid Hussain, Parvin Kumar & Jayant Sindhu. (2024) Analysis of good and bad fingerprint for identification of NIR based optical frameworks using Monte Carlo method. Microchemical Journal 196, pages 109549.
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Mehdi Oubahmane, Ismail Hdoufane, Christelle Delaite, Adlane Sayede, Driss Cherqaoui & Achraf El Allali. (2023) Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations. Pharmaceuticals 16:4, pages 608.
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Purusottam Banjare, Jagadish Singh, Ester Papa & Partha Pratim Roy. (2022) Aquatic toxicity prediction of diverse pesticides on two algal species using QSTR modeling approach. Environmental Science and Pollution Research 30:4, pages 10599-10612.
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Shahram Lotfi, Shahin Ahmadi & Parvin Kumar. (2022)
Ecotoxicological prediction of organic chemicals toward
Pseudokirchneriella subcapitata
by Monte Carlo approach
. RSC Advances 12:38, pages 24988-24997.
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Ashwani Kumar, Parvin Kumar & Devender Singh. (2022) QSRR modelling for the investigation of gas chromatography retention indices of flavour and fragrance compounds on Carbowax 20 M glass capillary column with the index of ideality of correlation and the consensus modelling. Chemometrics and Intelligent Laboratory Systems 224, pages 104552.
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Wissal Liman, Mehdi Oubahmane, Ismail Hdoufane, Imane Bjij, Didier Villemin, Rachid Daoud, Driss Cherqaoui & Achraf El Allali. (2022) Monte Carlo Method and GA-MLR-Based QSAR Modeling of NS5A Inhibitors against the Hepatitis C Virus. Molecules 27:9, pages 2729.
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Meenakshi Duhan, Parvin Kumar, Jayant Sindhu, Rahul Singh, Meena Devi, Ashwani Kumar, Ramesh Kumar & Sohan Lal. (2021) Exploring biological efficacy of novel benzothiazole linked 2,5-disubstituted-1,3,4-oxadiazole hybrids as efficient α-amylase inhibitors: Synthesis, characterization, inhibition, molecular docking, molecular dynamics and Monte Carlo based QSAR studies. Computers in Biology and Medicine 138, pages 104876.
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Shahram Lotfi, Shahin Ahmadi & Parvin Kumar. (2021) The Monte Carlo approach to model and predict the melting point of imidazolium ionic liquids using hybrid optimal descriptors. RSC Advances 11:54, pages 33849-33857.
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Ashwani Kumar & Parvin Kumar. (2020) Identification of good and bad fragments of tricyclic triazinone analogues as potential PKC-θ inhibitors through SMILES–based QSAR and molecular docking. Structural Chemistry 32:1, pages 149-165.
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Ashwani Kumar & Parvin Kumar. (2020) Quantitative structure toxicity analysis of ionic liquids toward acetylcholinesterase enzyme using novel QSTR models with index of ideality of correlation and correlation contradiction index. Journal of Molecular Liquids 318, pages 114055.
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Andrey A. Toropov & Alla P. Toropova. (2020) Correlation intensity index: Building up models for mutagenicity of silver nanoparticles. Science of The Total Environment 737, pages 139720.
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Kimia Jafari, Mohammad Hossein Fatemi, Alla P. Toropova & Andrey A. Toropov. (2020) Correlation Intensity Index (CII) as a criterion of predictive potential: Applying to model thermal conductivity of metal oxide-based ethylene glycol nanofluids. Chemical Physics Letters 754, pages 137614.
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Parvin Kumar & Ashwani Kumar. (2020) 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. Chemometrics and Intelligent Laboratory Systems 200, pages 103982.
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Manisha Nimbhal, Kiran Bagri, Parvin Kumar & Ashwani Kumar. (2019) The index of ideality of correlation: A statistical yardstick for better QSAR modeling of glucokinase activators. Structural Chemistry 31:2, pages 831-839.
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