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Molecular structure

Exploring entropy measures with topological indices on colorectal cancer drugs using curvilinear regression analysis and machine learning approaches

Maria Fazal, Salma Kanwal, Muhammad Taskeen Raza, Asima Razzaque

published 09 Jul 2025

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Investigating SnO_x/Graphene Oxide heterostructure for methane sensing and its application as a tunable light absorber for optoelectronic devices

Manoj Kumar, Purnendu Shekhar Pandey, M. Sudhakara Reddy, Anita Gehlot, Santosh Kumar Choudhary, Gyanendra Kumar Singh, Balkeshwar Singh

published 03 Jul 2025

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Study on the aging performance of SBS modified asphalt in humid and hot environment

Xiaoyan Liu, Ping Li, Jingsheng Pan

published 16 Jun 2025

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Prediction of drug-target interactions based on substructure subsequences and cross-public attention mechanism

Haikuo Shi, Jing Hu, Xiaolong Zhang, Shuting Jin, Xin Xu

published 30 May 2025

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A novel approach to explore common prime divisor graphs and their degree based topological descriptor

Ali N. A. Koam, Azeem Haider, Ali Ahmad, Moin Akhtar Ansari

published 27 May 2025

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Temperature dependence of adhesive friction properties of rubber asphalt mortar and its mechanism of action

Yuan Du, Ning Li, Manbin Yang, She Shan, Hui Dou, Yongzhi Chen, Xinyuan Liu

published 27 May 2025

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Encapsulation of anticancer drugs into carbon nanotubes: Heuristic algorithm approach and mathematical model

Kanes Sumetpipat, Duangkamon Baowan

published 20 May 2025

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QSPR modeling of some COVID-19 drugs using neighborhood eccentricity-based topological indices: A comparative analysis

Yeliz Kara, Yeşim Saǧlam Özkan, Asad Ullah, Yasser Salah Hamed, Melaku Berhe Belay

published 20 May 2025

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Unveiling the mechanism of dodecylphosphorylcholine as an extremely promising drug delivery system: From self-assembly clusters to drug encapsulation pathways

Qijiang Shu, Linjing Yang, Li Li, Zedong Lin, Pengru Huang

published 07 May 2025

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Edge-enhanced interaction graph network for protein-ligand binding affinity prediction

Dinghai Yang, Linai Kuang, An Hu

published 08 Apr 2025

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Tris inhibits a GH1 β-glucosidase by a linear mixed inhibition mechanism

Rafael S. Chagas, Sandro R. Marana

published 25 Mar 2025

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The study on the adsorption characteristics of anthracite under different temperature and pressure conditions

Danan Zhao, Xiaofei Ke, Mincong Huang, Wenchang He, Mingyu Tong, Baihong Chen, Qu Du

published 11 Mar 2025

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Innovative approaches in QSPR modelling using topological indices for the development of cancer treatments

Xiaolong Shi, Saeed Kosari, Masoud Ghods, Negar Kheirkhahan

published 21 Feb 2025

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