http://orcid.org/0000-0002-2635-6465
Citations (40)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (12)
K. Bagri, A. Kapoor, P. Kumar & A. Kumar. (2023) Hybrid descriptors–conjoint indices: a case study on imidazole-thiourea containing glutaminyl cyclase inhibitors for design of novel anti-Alzheimer’s candidates. SAR and QSAR in Environmental Research 34:5, pages 361-381.
Read now
Read now
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.
Read now
Read now
P. Kumar, R. Singh, A. Kumar, A.P. Toropova, A.A. Toropov, M. Devi, S. Lal, J. Sindhu & D. Singh. (2022) Identifications of good and bad structural fragments of hydrazone/2,5-disubstituted-1,3,4-oxadiazole hybrids with correlation intensity index and consensus modelling using Monte Carlo based QSAR studies, their molecular docking and ADME analysis. SAR and QSAR in Environmental Research 33:9, pages 677-700.
Read now
Read now
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.
Read now
Read now
Alla P. Toropova, Andrey A. Toropov, Anna Lombardo, Giovanna Lavado & Emilio Benfenati. (2022) Paradox of ‘ideal correlations’: improved model for air half-life of persistent organic pollutants. Environmental Technology 43:16, pages 2510-2515.
Read now
Read now
Andrey A. Toropov, Alla P. Toropova, Aleksandar M. Veselinović, Danuta Leszczynska & Jerzy Leszczynski. (2022) SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model. Journal of Biomolecular Structure and Dynamics 40:2, pages 780-786.
Read now
Read now
Ashwani Kumar, Kiran Bagri, Manisha Nimbhal & Parvin Kumar. (2021) In silico exploration of the fingerprints triggering modulation of glutaminyl cyclase inhibition for the treatment of Alzheimer’s disease using SMILES based attributes in Monte Carlo optimization. Journal of Biomolecular Structure and Dynamics 39:18, pages 7181-7193.
Read now
Read now
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.
Read now
Read now
T. Ghiasi, S. Ahmadi, E. Ahmadi, M.R. Talei Bavil Olyai & Z. Khodadadi. (2021) The index of ideality of correlation: QSAR studies of hepatitis C virus NS3/4A protease inhibitors using SMILES descriptors. SAR and QSAR in Environmental Research 32:6, pages 495-520.
Read now
Read now
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.
Read now
Read now
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.
Read now
Read now
P. Kumar & A. Kumar. (2020) In silico enhancement of azo dye adsorption affinity for cellulose fibre through mechanistic interpretation under guidance of QSPR models using Monte Carlo method with index of ideality correlation. SAR and QSAR in Environmental Research 31:9, pages 697-715.
Read now
Read now
Articles from other publishers (28)
Bhawna, Sunil Kumar, Parvin Kumar & Ashwani Kumar. (2024) Correlation intensity index-index of ideality of correlation: A hyphenated target function for furtherance of MAO-B inhibitory activity assessment. Computational Biology and Chemistry 108, pages 107975.
Crossref
Crossref
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.
Crossref
Crossref
Shahram Lotfi, Shahin Ahmadi, Ali Azimi & Parvin Kumar. (2023) Prediction of second-order rate constants of the sulfate radical anion with aromatic contaminants using the Monte Carlo technique. New Journal of Chemistry 47:42, pages 19504-19515.
Crossref
Crossref
Pablo R. Duchowicz & Juan C. Garro-Martínez. 2023. Advanced Pharmacy. Advanced Pharmacy
45
61
.
Parvin Kumar, Ashwani Kumar, Jayant Sindhu & Sohan Lal. (2023) Quasi-SMILES as a basis for the development of QSPR models to predict the CO2 capture capacity of deep eutectic solvents using correlation intensity index and consensus modelling. Fuel 345, pages 128237.
Crossref
Crossref
Faezeh Tajiani, Shahin Ahmadi, Shahram Lotfi, Parvin Kumar & Ali Almasirad. (2023) In-silico activity prediction and docking studies of some flavonol derivatives as anti-prostate cancer agents based on Monte Carlo optimization. BMC Chemistry 17:1.
Crossref
Crossref
Kamal Tabti, Oumayma Abdessadak, Abdelouahid Sbai, Hamid Maghat, Mohammed Bouachrine & Tahar Lakhlifi. (2023) Design and development of novel spiro-oxindoles as potent antiproliferative agents using quantitative structure activity based Monte Carlo method, docking molecular, molecular dynamics, free energy calculations, and pharmacokinetics /toxicity studies. Journal of Molecular Structure 1284, pages 135404.
Crossref
Crossref
Ossama Daoui, Souad Elkhattabi & Samir Chtita. (2023) Design and Prediction of ADME/Tox Properties of Novel Magnolol Derivatives
as Anticancer Agents for NSCLC Using 3D-QSAR, Molecular Docking,
MOLCAD and MM-GBSA Studies. Letters in Drug Design & Discovery 20:5, pages 545-569.
Crossref
Crossref
Su Jin Lee, Junmin Cho, Byung-Hoon Lee, Donghwan Hwang & Jee-Woong Park. (2023) Design and Prediction of Aptamers Assisted by In Silico Methods. Biomedicines 11:2, pages 356.
Crossref
Crossref
Parvin Kumar & Ashwani Kumar. 2023. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES
421
462
.
Hamideh Hamzehali, Shahram Lotfi, Shahin Ahmadi & Parvin Kumar. (2022) Quantitative structure–activity relationship modeling for predication of inhibition potencies of imatinib derivatives using SMILES attributes. Scientific Reports 12:1.
Crossref
Crossref
Parvin Kumar, Ashwani Kumar, Sohan Lal, Devender Singh, Shahram Lotfi & Shahin Ahmadi. (2022) CORAL: Quantitative Structure Retention Relationship (QSRR) of flavors and fragrances compounds studied on the stationary phase methyl silicone OV-101 column in gas chromatography using correlation intensity index and consensus modelling. Journal of Molecular Structure 1265, pages 133437.
Crossref
Crossref
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.
Crossref
Crossref
Parvin Kumar, Ashwani Kumar & Devender Singh. (2022) CORAL: Development of a hybrid descriptor based QSTR model to predict the toxicity of dioxins and dioxin-like compounds with correlation intensity index and consensus modelling. Environmental Toxicology and Pharmacology 93, pages 103893.
Crossref
Crossref
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.
Crossref
Crossref
Parvin Kumar, Sunil Kumar & Ashwani Kumar. (2022) Creation of Quantitative Feature Toxicity Relationship Models for Cytotoxicity of Cadmium Containing Quantum Dots Towards HEK Cells Using QuasiSMILES. International Journal of Quantitative Structure-Property Relationships 7:1, pages 1-20.
Crossref
Crossref
Sutapa Dutta, Stefano Corni & Giorgia Brancolini. (2022) Atomistic Simulations of Functionalized Nano-Materials for Biosensors Applications. International Journal of Molecular Sciences 23:3, pages 1484.
Crossref
Crossref
Parvin Kumar & Ashwani Kumar. (2021) Correlation intensity index (CII) as a benchmark of predictive potential: Construction of quantitative structure activity relationship models for anti-influenza single-stranded DNA aptamers using Monte Carlo optimization. Journal of Molecular Structure 1246, pages 131205.
Crossref
Crossref
Alla P. Toropova, Andrey A. Toropov & Emilio Benfenati. (2021) Semi-correlations as a tool to model for skin sensitization. Food and Chemical Toxicology 157, pages 112580.
Crossref
Crossref
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.
Crossref
Crossref
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.
Crossref
Crossref
Alla P. Toropova, Andrey A. Toropov, Danuta Leszczynska & Jerzy Leszczynski. (2020) How the CORAL software can be used to select compounds for efficient treatment of neurodegenerative diseases?. Toxicology and Applied Pharmacology 408, pages 115276.
Crossref
Crossref
Andrey A. Buglak, Alexey V. Samokhvalov, Anatoly V. Zherdev & Boris B. Dzantiev. (2020) Methods and Applications of In Silico Aptamer Design and Modeling. International Journal of Molecular Sciences 21:22, pages 8420.
Crossref
Crossref
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.
Crossref
Crossref
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.
Crossref
Crossref
Maja Zivkovic, Marko Zlatanovic, Nevena Zlatanovic, Mladjan Golubović & Aleksandar M. Veselinović. (2020) The Application of the Combination of Monte Carlo Optimization Method based QSAR Modeling and Molecular Docking in Drug Design and Development. Mini-Reviews in Medicinal Chemistry 20:14, pages 1389-1402.
Crossref
Crossref
Ashwani Kumar & Parvin Kumar. (2020) Construction of pioneering quantitative structure activity relationship screening models for abuse potential of designer drugs using index of ideality of correlation in monte carlo optimization. Archives of Toxicology 94:9, pages 3069-3086.
Crossref
Crossref
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.
Crossref
Crossref