Publications

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PepBio: Predicting the bioactivity of host defense peptides Research article

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Towards the design of 3-aminopyrazole pharmacophore of pyrazolopyridine derivatives as novel antioxidants Research article

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Towards the revival of interpretable QSAR models Book chapter

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Exploring the origin of phosphodiesterase inhibition via proteochemometric modeling Research article

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Aromatase inhibitory activity of 1,4-Naphthoquinone derivatives and QSAR study Research article

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Towards predicting the cytochrome P450 modulation: From QSAR to proteochemometric modeling Review article

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Molecularly imprinted polymer for human viral pathogen detection Review article

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Exploring the epigenetic drug discovery landscape Review article

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HemoPred: a web service for predicting the hemolytic activity of peptides Research article

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CryoProtect: a web server for classifying antifreeze proteins from non-antifreeze proteins Research article

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Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors Research article

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Probing the origins of anticancer activity of chrysin derivatives Research article

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Predicting metabolic syndrome using the random forest method Research article

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Exploring the origins of structure-oxygen affinity relationship of human hemoglobin allosteric effector Research article

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osFP: A web server for predicting the oligomeric states of fluorescent proteins Research article

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Roles of ᴅ-amino acids on the bioactivity of host defense peptides Review article

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Origin of aromatase inhibitory activity via proteochemometric modeling Research article

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Computational identification of miRNAs that modulate the differentiation of mesenchymal stem cells to osteoblasts Research article

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Exploring the chemical space of influenza neuraminidase inhibitors Research article

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Structural and biochemical characterization of two heme binding sites on α1-microglobulin using site directed mutagenesis and molecular simulation Research article

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Exploring the chemical space of P-glycoprotein interacting compounds Research article

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Extending proteochemometric modeling for unraveling the sorption behavior of compound–soil interaction Research article

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Unraveling the origin of splice switching activity of hemoglobin-globin gene modulators via QSAR modeling Research article

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Discovery of novel 1,2,3-triazole derivatives as anticancer agents using QSAR and in silico structural modification Research article

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Novel 1,4-naphthoquinone-based sulfonamides: synthesis, QSAR, anticancer and antimalarial studies Research article

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Classification of P-glycoprotein-interacting compounds using machine-learning methods Research article

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Navigating the chemical space of dipeptidyl peptidase 4 inhibitors Research article

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Large-scale structure-activity relationship study of hepatitis C virus NS5B polymerase inhibition using SMILES-based descriptors Research article

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Synthesis and molecular docking of 1,2,3-triazole-based sulfonamides as aromatase inhibitors Research article

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On the origins of hepatitis virus C NS5B polymerase inhibitory activity using machine learning approaches Research article

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Computer-aided drug design of bioactive natural products Review article

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Maximizing computational tools for successful drug discovery Review article

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AutoWeka: Towards an automated data mining software for QSAR and QSPR studies Book chapter

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Elucidating the structure-activity relationship of curcumin and its biological activities Book chapter

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Trapping of hemoglobins by haptoglobin: Molecular mechanisms and clinical applications Review article

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Advances in computational methods to predict the biological activity of compounds Review article

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A practical overview of quantitative structure-activity relationship Review article

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