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  • QSAR
    • List of Articles QSAR

      • Open Access Article
        • Abstract Page
        • Full-Text

        1 - Effective components study on place attachment, in the eyes of the city of Tehran teenagers
        زهرا خدائی Mojtaba Rafiyan Hashem Dadashpour Aliakbar Taghvaee
      • Open Access Article
        • Abstract Page
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        2 - QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
        fatemeh shafiei Shahaboddin Mohebbi Tahereh Momeni Isfahani Mehdi Ahmadi Sabegh
        10.30495/jptc.2023.71661.1252
      • Open Access Article
        • Abstract Page
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        3 - مطالعه فعالیت بیولوژیکی و چربی دوستی چند داکسازولیدین به عنوان مهارکننده سلول های سرطانی
        maria nikkar robabeh sayyadikordabadi asghar Alizadehdakhel Ghasem Ghasemi
        10.30495/jptc.2021.20405
      • Open Access Article
        • Abstract Page
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        4 - استفاده از روش مونت کارلو و یک رویکرد مدلسازی-بهینه سازی جدید در مطالعه QSAR داروهای اتوپوزید
        Asghar Alizadehdakhel robabeh sayyadikordabadi Ghasem Ghasemi Babak Motahary
        10.30495/jptc.2022.62210.1224
      • Open Access Article
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        5 - Monte Carlo and QSAR Study on Biological Activity of Several Platinum (IV) Anti Cancer Drugs
        robabeh sayyadikordabadi Abdollah Fallah Shojaei Asghar Alizadehdakhel leila mohammadinargesi Ghasem Ghasemi
        10.30495/jptc.2021.20871
      • Open Access Article
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        6 - A Priori Prediction of Tissue: Plasma Partition Coefficients (Log BP) of Drugs to Facilitate the Use of MLR and MLR-GA Methods
        Z. Bayat J. Movaffagh
      • Open Access Article
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        7 - The Structural Relationship Between Topological Indices and Some Thermodynamic Properties
        F. Shafiei M. Aghaie K. Zare H. Aghaie
      • Open Access Article
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        8 - Application of Graph Theory to Some Thermodynamic Properties and Topological Indices
        H. Aghaie M. Monajjemi F. Shafiei
      • Open Access Article
        • Abstract Page
        • Full-Text

        9 - Theoretical study of 2,3,7,8-tetrachlorodibenzo-para-dioxine removal by boron nitride-nanotube (BNNT): QSAR, IR-DFT
        L. Mahdavian
      • Open Access Article
        • Abstract Page
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        10 - 4D-QSAR analysis and pharmacophore modeling: propoxy methylphenyl oxasiazole derivatives by electron conformatitional-genetic algorithm method
        Burak Tüzün Sevtap Çağlar Yavuz Emin Sarıpınar
      • Open Access Article
        • Abstract Page
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        11 - Theoretical studies on corrosion inhibition of N-aroyl-N’-aryl thiourea derivatives using conceptual DFT approach
        Semire Banjo Oyebamiji Abel Kolawole
      • Open Access Article
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        12 - Application of topological and physicochemical descriptors: QSTR analysis of the toxicity of benzene derivatives
        H. Hosseini F. Shafiei
      • Open Access Article
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        13 - QSAR studies, docking and molecular dynamics simulation of a number of heterocyclic compounds including nitrogen oxide as new anti-tuberculosis agents
        Ghasem Ghasemi Babak Motahary Robabe SayadikordAbadi
      • Open Access Article
        • Abstract Page
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        14 - A QSAR Study of 2-carboxamide-1,4-di-N-oxide quinoxaline Derivatives
        Mohamad Reza Talei Bavil Olyai Hadi Behzadi Payman Roonasi Khaton Taghipour
      • Open Access Article
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        15 - QSAR Study of New Biphenylic Derivatives as CB2 Receptor Ligands by Quantum Chemical Descriptors
        Nosrat Madadi Mahani Alireza Mohadesi zarandi Najmeh Mohammadi
      • Open Access Article
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        16 - Application of genetic algorithm-Multiple linear regression for prediction of dopamine receptor 4 (D4R) antagonists of alkoxymethyl morpholines
        Samira Masoomi Aladezgeh Haniye Ghaffari Jajin Eslam Pourbasheer
      • Open Access Article
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        17 - Investigation of inhibitory properties of triphenyl-LasR enzyme involved in the quorum sensing of Pseudomonas aeruginosa by molecular modeling
        Mahshad Shahriari Faezeh Nourmandipour Samira Norouzi Samad Nejad Ebrahimi
        10.30495/tpr.2021.1931857.1209
      • Open Access Article
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        18 - The study of relationship between molecular descriptors and LD50 of organophosphate pesticides
        E. Mohammadinasab M. kianpour
      • Open Access Article
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        19 - Prediction of toxicity and octanol–water partition coefficient of Carbamate Derivativesas Insecticides Using Genetic Algorithm-Multiple Linear Regressions Method
        Atefehsadat Navabi Tahereh Momeni Isfahani Majid Ramazani Mohammad Alimoradi
      • Open Access Article
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        20 - Prediction of toxicity and octanol – water partition coefficient of organochlorine pesticides using Molecular Descriptors and GA-MLR Method
        F. Shafiei Z. Zamani
      • Open Access Article
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        21 - Quantitative structure–activity relationship on a series of imidazole [1, 2-a] pyridinecarboxamide derivatives as anti-tuberculosis agents
        Mohsen Nekoeinia Saeed Yousefinejad
      • Open Access Article
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        22 - QSAR, Molecular docking and Molecular dynamics studies simulation of Epigenetic inhibitors
        ghasem ghasemi babak motahary Robabe SayadikordAbadi omid alizadeh
      • Open Access Article
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        23 - Molecular Modeling of the Toxoplasma Gondii Adenosine Kinase Inhibitors
        Taraneh Zandi Asadabadi
        10.71886/bioem.2022.1001659
      • Open Access Article
        • Abstract Page
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        24 - Quantitative structure-activity relationship of some flavonoid derivatives as ‎acetylcholinesterase inhibitors based on Monte Carlo algorithm
        Zahra Nazari Shahin Ahmadi Ali Almasirad
      • Open Access Article
        • Abstract Page
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        25 - Three-dimensional quantitative structure activity relationship approach series of 3-Bromo-4-(1-H-3-Indolyl)-2, 5-Dihydro-1H-2, 5- Pyrroledione as antibacterial agents
        Mukesh Chandra Sharma Smita Sharma Dharm Veer Kohli Subash Chandra Chaturvedi
      • Open Access Article
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        26 - QSAR study of retention index of different alkanes and alkenes using different chemometrics methods
        Mehrana Motiee

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