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Predictive toxicology

Development and evaluation of a multimodal feature-based predictive model for radiotherapy-induced oral mucositis in nasopharyngeal carcinoma

Ling Li, Linke Li, Ruifeng Guo, Shiting Fang, Ke Wang, Ge Yuan, Danxian Jiang, Jing Huang

published 09 Apr 2026

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Antimicrobial and antibiofilm evaluation of thymol, sodium azide, and sodium lauryl sulfate against multidrug-resistant pathogens: An integrated experimental and computational study

Kamal A. Qureshi, Adil Parvez

published 07 Apr 2026

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Elucidating the binding mechanism of Caralluma tuberculata metabolites with type 2 diabetes targets through molecular docking and dynamics simulations

Amir Ali, Zia-ur-Rehman Mashwani, Ashfaq Ahmad, Juan Pedro Luna-Arias, Gabriela Medina-Pérez, Ajaz Ahmad

published 03 Apr 2026

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Unraveling the toxicological impact of Bisphenol A exposure on dermatomyositis: An integration of network toxicology and machine learning approaches

Lili Cheng, Zhongfu Tang, Ming Li, Chuanbing Huang

published 30 Mar 2026

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Elucidating the potential carcinogenic molecular mechanisms of parabens in head and neck squamous cell carcinoma through network toxicology and molecular docking

Lei Zhao, Jianwang Yang, Tao Liu, Huan Cao, Miaomiao Yu, Baoshan Wang

published 23 Mar 2026

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Toxic chinese herbal medicine recognition in real-world images via multi-scale and attention-enhanced EfficientNetV2

Guohua Zhu, Jaehan Joo, Seonghyeon Park, Suk Chan Kim

published 19 Mar 2026

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Mechanistic insights into triclosan-induced hepatotoxicity: A network toxicology and molecular docking approach

Fuzhi Liu, Yanyan Zhao, Dandan Zhu, Jingwen Wang, Zhaocheng Zhuang, Yangjia Chen, Yuan Su, Zhuote Tu

published 25 Feb 2026

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DrugReasoner: Interpretable drug approval prediction with a reasoning-augmented language model

Mohammadreza Ghaffarzadeh-Esfahani, Ali Motahharynia, Nahid Yousefian, Navid Mazrouei, Jafar Ghaisari, Yousof Gheisari

published 19 Feb 2026

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Multi-epitope vaccine design against Monkeypox virus: An immunoinformatics approach

Syed Ahmad, Sara Aslam, Ammara Khalid

published 13 Feb 2026

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Uralenol, Glycyrol, and Abyssinone II as potent inhibitors of fibroblast growth factor receptor 2 from anti-cancer plants: A deep learning and molecular dynamics approach

Alomgir Hossain, Md. Sanowar Hossan, Md. Shahanur Prodhan, Md. Nahid Hasan Joy, Muntasir Rahman Siam, Md. Ekhtiar Rahman, Mohammad Nurul Matin

published 30 Jan 2026

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Multi-objective QSAR prediction of ERα antagonists via SHAP-based interpretation

Jinhui Cao, Yanli Liu

published 08 Jan 2026

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A multi-level explanatory-sequential mixed-methods study of perinatal toxicology practices in New York State: Protocol

Sugy Choi, Elizabeth Knopf, Erin Kim, Charles J. Neighbors, Carolyn A. Berry, Erinn Hade, Chau Trinh-Shevrin, Mishka Terplan, Neil S. Seligman, David J. Garry, Jennifer McNeely

published 31 Dec 2025

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RETRACTED: Ph-triazole as a therapeutic agent for pancreatic cancer: Synthesis, in silico, and in vitro evaluation

Ningbo Zhang, Xingxing Li, Fangyuan Li, Jianjiang Jin, Ting Zheng, Li Zhou

published 09 Dec 2025

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