Towards the design of 3-aminopyrazole pharmacophore of pyrazolopyridine derivatives as novel antioxidants
Research article
(2017) Medicinal Chemistry Research
26
: 2699-2706.
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Towards the revival of interpretable QSAR models
Book chapter
(2017) In Advances in QSAR modeling with Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences
24
: 3-55.
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Towards predicting the cytochrome P450 modulation: From QSAR to proteochemometric modeling
Review article
(2017) Current Drug Metabolism
18
: 540-555.
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Molecularly imprinted polymer for human viral pathogen detection
Review article
(2017) Materials Science and Engineering: C
77
: 1341-1348.
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Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors
Research article
(2017) SAR and QSAR in Environmental Research
28
(1)
: 1-16.
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Exploring the origins of structure-oxygen affinity relationship of human hemoglobin allosteric effector
Research article
(2016) Molecular Simulation
41
(15)
: 1283-1291.
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Roles of ᴅ-amino acids on the bioactivity of host defense peptides
Review article
(2016) International Journal of Molecular Sciences
17
(7)
: 1023.
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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
(2016) Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics
1864
(1)
: 29-41.
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Extending proteochemometric modeling for unraveling the sorption behavior of compound–soil interaction
Research article
(2016) Chemometrics and Intelligent Laboratory Systems
151
: 219-227.
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Unraveling the origin of splice switching activity of hemoglobin-globin gene modulators via QSAR modeling
Research article
(2015) Chemometrics and Intelligent Laboratory Systems
151
: 51-60.
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Synthesis and molecular docking of 1,2,3-triazole-based sulfonamides as aromatase inhibitors
Research article
(2015) Bioorganic & Medicinal Chemistry
23
(13)
: 3472-3480.
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On the origins of hepatitis virus C NS5B polymerase inhibitory activity using machine learning approaches
Research article
(2015) Current Topics in Medicinal Chemistry
15
(18)
: 1814-1826.
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Computer-aided drug design of bioactive natural products
Review article
(2015) Current Topics in Medicinal Chemistry
15
(18)
: 1780-1800.
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AutoWeka: Towards an automated data mining software for QSAR and QSPR studies
Book chapter
(2015) In Artificial Neural Networks: Methods and Applications
1260
: 119-147.
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Elucidating the structure-activity relationship of curcumin and its biological activities
Book chapter
(2014) In Curcumin: Synthesis, Emerging Role in Pain Management and Health Implications
: 49-86.
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Trapping of hemoglobins by haptoglobin: Molecular mechanisms and clinical applications
Review article
(2012) Antioxidants & Redox Signaling
18
(17)
: 2364-2374.
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Advances in computational methods to predict the biological activity of compounds
Review article
(2010) Expert Opinion on Drug Discovery
5
(7)
: 633-654.
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