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Citations (21)
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Atena Azimi, Shahin Ahmadi, Ashwani Kumar, Mahnaz Qomi & Ali Almasirad. (2023) SMILES-Based QSAR and Molecular Docking Study of Oseltamivir Derivatives as Influenza Inhibitors. Polycyclic Aromatic Compounds 43:4, pages 3257-3277.
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Garima, S. Sharma, J. Sindhu & P. Kumar. (2023) QSAR study of tetrahydropteridin derivatives as polo-like kinase 1(PLK1) Inhibitors with molecular docking and dynamics study. SAR and QSAR in Environmental Research 34:2, pages 91-116.
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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.
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Shahin Ahmadi, Zohreh Moradi, Ashwani Kumar & Ali Almasirad. (2022) SMILES-based QSAR and molecular docking study of xanthone derivatives as α-glucosidase inhibitors. Journal of Receptors and Signal Transduction 42:4, pages 361-372.
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A.P. Toropova, A.A. Toropov, E.L. Viganò, E. Colombo, A. Roncaglioni & E. Benfenati. (2022) Carcinogenicity prediction using the index of ideality of correlation. SAR and QSAR in Environmental Research 33:6, pages 419-428.
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S. Ahmadi, S. Lotfi, S. Afshari, P. Kumar & E. Ghasemi. (2021) CORAL: Monte Carlo based global QSAR modelling of Bruton tyrosine kinase inhibitors using hybrid descriptors. SAR and QSAR in Environmental Research 32:12, pages 1013-1031.
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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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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.
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A.A. Toropov, A.P. Toropova, A. Lombardo, A. Roncaglioni, G.J. Lavado & E. Benfenati. (2021) The Monte Carlo method to build up models of the hydrolysis half-lives of organic compounds. SAR and QSAR in Environmental Research 32:6, pages 463-471.
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Articles from other publishers (12)
Tengyi Zhu, Shuyin Li, Lili Li & Cuicui Tao. (2023) A new perspective on predicting the reaction rate constants of hydrated electrons for organic contaminants: Exploring molecular structure characterization methods and ambient conditions. Science of The Total Environment 904, pages 166316.
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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.
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Garima, Sanjeev Sharma, Jayant Sindhu & Parvin Kumar. (2023) QSAR analysis for pyrimidine and pyridine derivatives as RIPK2 (receptor interacting protein kinase 2) inhibitors. Journal of the Indian Chemical Society 100:8, pages 101052.
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Shahin Ahmadi, Sepideh Ketabi & Marjan Jebeli Javan. 2023. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES
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Parvin Kumar & Ashwani Kumar. 2023. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES
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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.
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Biljana Živadinović, Jelena Stamenović, Jelena Živadinović, Lazar Živadinović, Mihajlo Sokolović, Snežana S. Filipović, Dušan Sokolović & Aleksandar M. Veselinović. (2022) QSAR modelling, molecular docking studies and ADMET predictions of polysubstituted pyridinylimidazoles as dual inhibitors of JNK3 and p38α MAPK. Journal of Molecular Structure 1265, pages 133504.
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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.
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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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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.
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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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Shahram Lotfi, Shahin Ahmadi & Parvin Kumar. (2021) A hybrid descriptor based QSPR model to predict the thermal decomposition temperature of imidazolium ionic liquids using Monte Carlo approach. Journal of Molecular Liquids 338, pages 116465.
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