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SAR and QSAR in Environmental Research Volume 29, 2018 - Issue 11
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Articles

Prediction of the adsorption coefficients of some aromatic compounds on multi-wall carbon nanotubes by the Monte Carlo method

S. AhmadiDepartment of Chemistry, Kermanshah Branch, Islamic Azad University, Kermanshah, IranCorrespondence[email protected]
&
A. AkbariDepartment of Chemistry, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran
Pages 895-909 | Received 12 Jul 2018, Accepted 18 Sep 2018, Published online: 18 Oct 2018

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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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Andrey A. Toropov, Alla P. Toropova, P. Ganga Raju Achary, Maria Raškova & Ivan Raška. (2022) The searching for agents for Alzheimer’s disease treatment via the system of self-consistent models. Toxicology Mechanisms and Methods 32:7, pages 549-557.
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Niloofar Ghasedi, Shahin Ahmadi, Sepideh Ketabi & Ali Almasirad. (2022) DFT based QSAR study on quinolone-triazole derivatives as antibacterial agents. Journal of Receptors and Signal Transduction 42:4, pages 418-428.
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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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Shahin Ahmadi, Shahram Lotfi & Parvin Kumar. (2022) 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. Toxicology Mechanisms and Methods 32:4, pages 302-312.
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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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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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S. Ahmadi, S. Lotfi & P. Kumar. (2020) A Monte Carlo method based QSPR model for prediction of reaction rate constants of hydrated electrons with organic contaminants. SAR and QSAR in Environmental Research 31:12, pages 935-950.
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A.A. Toropov, A.P. Toropova, G. Selvestrel, D. Baderna & E. Benfenati. (2020) Prediction of No Observed Adverse Effect Concentration for inhalation toxicity using Monte Carlo approach. SAR and QSAR in Environmental Research 31:12, pages 1-12.
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M. Javidfar & S. Ahmadi. (2020) QSAR modelling of larvicidal phytocompounds against Aedes aegypti using index of ideality of correlation. SAR and QSAR in Environmental Research 31:10, pages 717-739.
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Shahin Ahmadi, Alla P. Toropova & Andrey A. Toropov. (2020) Correlation intensity index: mathematical modeling of cytotoxicity of metal oxide nanoparticles. Nanotoxicology 14:8, pages 1118-1126.
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A.A. Toropov, A.P. Toropova, G. Selvestrel & E. Benfenati. (2019) Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization. SAR and QSAR in Environmental Research 30:6, pages 447-455.
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Articles from other publishers (29)

Supratik Kar & Jerzy Leszczynski. 2024. Emerging Materials and Environment. Emerging Materials and Environment 115 136 .
Andrey A. Toropov, Alla P. Toropova, Alessandra Roncaglioni & Emilio Benfenati. (2023) In silico prediction of the mutagenicity of nitroaromatic compounds using correlation weights of fragments of local symmetry. Mutation Research/Genetic Toxicology and Environmental Mutagenesis 891, pages 503684.
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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.
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Shahin Ahmadi, Azizeh Abdolmaleki & Marjan Jebeli Javan. 2023. Antioxidants. Antioxidants 1 43 .
Shahin Ahmadi & Neda Azimi. 2023. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES 191 210 .
Shahin Ahmadi, Sepideh Ketabi & Marjan Jebeli Javan. 2023. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES 25 56 .
Andrey A. Toropov, Maria Raskova, Ivan RaskaJr.Jr. & Alla P. Toropova. 2023. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES 3 24 .
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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Rahul Singh, Parvin Kumar, Meena Devi, Sohan Lal, Ashwani Kumar, Jayant Sindhu, Alla P. Toropova, Andrey A. Toropov & Devender Singh. (2022) Monte Carlo based QSGFEAR: prediction of Gibb's free energy of activation at different temperatures using SMILES based descriptors. New Journal of Chemistry 46:39, pages 19062-19072.
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Alla P. Toropova & Andrey A. Toropov. (2022) Nanomaterials: Quasi-SMILES as a flexible basis for regulation and environmental risk assessment. Science of The Total Environment 823, pages 153747.
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Shahin Ahmadi, Sepideh Ketabi & Mahnaz Qomi. (2022) CO 2 uptake prediction of metal–organic frameworks using quasi-SMILES and Monte Carlo optimization . New Journal of Chemistry 46:18, pages 8827-8837.
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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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Shahin Ahmadi, Shokufeh Aghabeygi, Majid Farahmandjou & Neda Azimi. (2021) The predictive model for band gap prediction of metal oxide nanoparticles based on quasi-SMILES. Structural Chemistry 32:5, pages 1893-1905.
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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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Alla P. Toropova & Andrey A. Toropov. (2021) Can the Monte Carlo method predict the toxicity of binary mixtures?. Environmental Science and Pollution Research 28:29, pages 39493-39500.
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Andrey A. Toropov, Alla P. Toropova, Marco Marzo, Edoardo Carnesecchi, Gianluca Selvestrel & Emilio Benfenati. (2020) Pesticides, cosmetics, drugs: identical and opposite influences of various molecular features as measures of endpoints similarity and dissimilarity. Molecular Diversity 25:2, pages 1137-1144.
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Shahin Ahmadi, Hosein Ghanbari, Shahram Lotfi & Neda Azimi. (2020) Predictive QSAR modeling for the antioxidant activity of natural compounds derivatives based on Monte Carlo method. Molecular Diversity 25:1, pages 87-97.
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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.
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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.
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Andrey A. Toropov & Alla P. Toropova. (2020) The Monte Carlo Method as a Tool to Build up Predictive QSPR/QSAR. Current Computer-Aided Drug Design 16:3, pages 197-206.
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Alla P. Toropova, Andrey A. Toropov, Danuta Leszczynska & Jerzy Leszczynski. (2020) The index of ideality of correlation: models of the flash points of ternary mixtures. New Journal of Chemistry 44:12, pages 4858-4868.
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Shahin Ahmadi. (2020) Mathematical modeling of cytotoxicity of metal oxide nanoparticles using the index of ideality correlation criteria. Chemosphere 242, pages 125192.
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Alla P. Toropova, Andrey A. Toropov, Edoardo Carnesecchi, Emilio Benfenati & Jean Lou Dorne. (2019) The index of ideality of correlation: models for flammability of binary liquid mixtures. Chemical Papers 74:2, pages 601-609.
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Probir Kumar Ojha, Dipika Mandal & Kunal Roy. 2020. Ecotoxicological QSARs. Ecotoxicological QSARs 477 511 .
Andrey A. Toropov & Alla P. Toropova. (2019) QSAR as a random event: criteria of predictive potential for a chance model. Structural Chemistry 30:5, pages 1677-1683.
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Shahin Ahmadi, Mehrshad Mehrabi, Sahar Rezaei & Noushin Mardafkan. (2019) Structure-activity relationship of the radical scavenging activities of some natural antioxidants based on the graph of atomic orbitals. Journal of Molecular Structure 1191, pages 165-174.
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V. Vijayaraghavan, A. Garg & Liang Gao. (2019) Multiphysics-Based Statistical Model for Investigating the Mechanics of Carbon Nanotubes Membranes for Proton-Exchange Membrane Fuel Cell Applications. Journal of Electrochemical Energy Conversion and Storage 16:3.
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Shahin Ahmadi, Fariba Mardinia, Neda Azimi, Mahnaz Qomi & Ebrahim Balali. (2019) Prediction of chalcone derivative cytotoxicity activity against MCF-7 human breast cancer cell by Monte Carlo method. Journal of Molecular Structure 1181, pages 305-311.
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