Rational Design of a Low-Data Regime of Pyrrole Antioxidants for Radical Scavenging Activities Using Quantum Chemical Descriptors and QSAR with the GA-MLR and ANN Concepts
Xie, Wanting, Wiriyarattanakul, Sopon, Rungrotmongkol, Thanyada, Shi, Liyi, Wiriyarattanakul, Amphawan, Maitarad, Phornphimon
Published in Molecules (Basel, Switzerland) (01.02.2023)
Published in Molecules (Basel, Switzerland) (01.02.2023)
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Journal Article
Quantitative Structure–Electrochemistry Relationship (QSER) Studies on Metal–Amino–Porphyrins for the Rational Design of CO2 Reduction Catalysts
Chen, Furong, Wiriyarattanakul, Amphawan, Xie, Wanting, Shi, Liyi, Rungrotmongkol, Thanyada, Jia, Rongrong, Maitarad, Phornphimon
Published in Molecules (Basel, Switzerland) (30.03.2023)
Published in Molecules (Basel, Switzerland) (30.03.2023)
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Journal Article
Computational Screening of Newly Designed Compounds against Coxsackievirus A16 and Enterovirus A71
Sripattaraphan, Amita, Sanachai, Kamonpan, Chavasiri, Warinthorn, Boonyasuppayakorn, Siwaporn, Maitarad, Phornphimon, Rungrotmongkol, Thanyada
Published in Molecules (Basel, Switzerland) (15.03.2022)
Published in Molecules (Basel, Switzerland) (15.03.2022)
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Journal Article
Improved NOx reduction in the presence of alkali metals by using hollandite Mn–Ti oxide promoted Cu-SAPO-34 catalysts
Zha, Kaiwen, Kang, Lin, Chong, Feng, Han, Lupeng, Li, Hongrui, Yan, Tingting, Maitarad, Phornphimon, Shi, Liyi, Zhang, Dengsong
Published in Environmental science. Nano (01.01.2018)
Published in Environmental science. Nano (01.01.2018)
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Journal Article
Design, synthesis, in vitro, in silico, and SAR studies of flavone analogs towards anti-dengue activity
Patigo, Apinya, Hengphasatporn, Kowit, Cao, Van, Paunrat, Wattamon, Vijara, Natthanan, Chokmahasarn, Thamonwan, Maitarad, Phornphimon, Rungrotmongkol, Thanyada, Shigeta, Yasuteru, Boonyasuppayakorn, Siwaporn, Khotavivattana, Tanatorn
Published in Scientific reports (14.12.2022)
Published in Scientific reports (14.12.2022)
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Discovery of novel JAK2 and EGFR inhibitors from a series of thiazole-based chalcone derivatives
Sanachai, Kamonpan, Aiebchun, Thitinan, Mahalapbutr, Panupong, Seetaha, Supaphorn, Tabtimmai, Lueacha, Maitarad, Phornphimon, Xenikakis, Iakovos, Geronikaki, Athina, Choowongkomon, Kiattawee, Rungrotmongkol, Thanyada
Published in MedChemComm (01.03.2021)
Published in MedChemComm (01.03.2021)
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Prediction of the Glass Transition Temperature in Polyethylene Terephthalate/Polyethylene Vanillate (PET/PEV) Blends: A Molecular Dynamics Study
Sangkhawasi, Mattanun, Remsungnen, Tawun, Vangnai, Alisa S., Maitarad, Phornphimon, Rungrotmongkol, Thanyada
Published in Polymers (13.07.2022)
Published in Polymers (13.07.2022)
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Journal Article
Influence of conformational change of chain unit on the intrinsic negative thermal expansion of polymers
Sun, Qiangsheng, Jin, Ke, Huang, Yuhui, Guo, Jia, Rungrotmongkol, Thanyada, Maitarad, Phornphimon, Wang, Changchun
Published in Chinese chemical letters (01.04.2021)
Published in Chinese chemical letters (01.04.2021)
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Journal Article
Excited-State Geometries of Heteroaromatic Compounds: A Comparative TD-DFT and SAC-CI Study
Bousquet, Diane, Fukuda, Ryoichi, Maitarad, Phornphimon, Jacquemin, Denis, Ciofini, Ilaria, Adamo, Carlo, Ehara, Masahiro
Published in Journal of chemical theory and computation (14.05.2013)
Published in Journal of chemical theory and computation (14.05.2013)
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Metal–Porphyrin: A Potential Catalyst for Direct Decomposition of N2O by Theoretical Reaction Mechanism Investigation
Maitarad, Phornphimon, Namuangruk, Supawadee, Zhang, Dengsong, Shi, Liyi, Li, Hongrui, Huang, Lei, Boekfa, Bundet, Ehara, Masahiro
Published in Environmental science & technology (17.06.2014)
Published in Environmental science & technology (17.06.2014)
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Journal Article
Comparative Study of Machine Learning-Based QSAR Modeling of Anti-inflammatory Compounds from Durian Extraction
Wiriyarattanakul, Amphawan, Xie, Wanting, Toopradab, Borwornlak, Wiriyarattanakul, Sopon, Shi, Liyi, Rungrotmongkol, Thanyada, Maitarad, Phornphimon
Published in ACS omega (20.02.2024)
Published in ACS omega (20.02.2024)
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Journal Article
In Silico Screening of DNA Gyrase B Potent Flavonoids for the Treatment of Clostridium difficile Infection from PhytoHub Database
Verma, Kanika, Mahalapbutr, Panupong, Suriya, Utid, Somboon, Tuanjai, Aiebchun, Thitinan, Shi, Liyi, Maitarad, Phornphimon, Rungrotmongkol, Thanyada
Published in Brazilian Archives of Biology and Technology (01.01.2021)
Published in Brazilian Archives of Biology and Technology (01.01.2021)
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Journal Article
The complete reaction mechanism of H2S desulfurization on an anatase TiO2 (001) surface: a density functional theory investigation
Junkaew, Anchalee, Maitarad, Phornphimon, Arroyave, Raymundo, Kungwan, Nawee, Zhang, Dengsong, Shi, Liyi, Namuangruk, Supawadee
Published in Catalysis science & technology (2017)
Published in Catalysis science & technology (2017)
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Journal Article
Defect-induced efficient dry reforming of methane over two-dimensional Ni/h-boron nitride nanosheet catalysts
Cao, Yang, Maitarad, Phornphimon, Gao, Min, Taketsugu, Tetsuya, Li, Hongrui, Yan, Tingting, Shi, Liyi, Zhang, Dengsong
Published in Applied catalysis. B, Environmental (15.12.2018)
Published in Applied catalysis. B, Environmental (15.12.2018)
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Journal Article
Investigation of the Facet-Dependent Catalytic Performance of Fe2O3/CeO2 for the Selective Catalytic Reduction of NO with NH3
Han, Jin, Meeprasert, Jittima, Maitarad, Phornphimon, Nammuangruk, Supawadee, Shi, Liyi, Zhang, Dengsong
Published in Journal of physical chemistry. C (28.01.2016)
Published in Journal of physical chemistry. C (28.01.2016)
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Journal Article
CoMFA and CoMSIA studies on a new series of xanthone derivatives against the oral human epidermoid carcinoma (KB) cancer cell line
Suphavanich, Ketthip, Maitarad, Phornphimon, Hannongbua, Supa, Sudta, Pichit, Suksamrarn, Sunit, Tantirungrotechai, Yuthana, Limtrakul, Jumras
Published in Monatshefte für Chemie (01.03.2009)
Published in Monatshefte für Chemie (01.03.2009)
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