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Predictive toxicology

The tip of the iceberg: Profiling cooling agents using computational approaches to inform tobacco regulatory science

Saibal Chakraborty, P. Dilip Venugopal, [ ... ], Reema Goel

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

Ling Li, Linke Li, [ ... ], Jing Huang

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

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, [ ... ], Ajaz Ahmad

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

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, [ ... ], Baoshan Wang

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

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

Fuzhi Liu, Yanyan Zhao, [ ... ], Zhuote Tu

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

Mohammadreza Ghaffarzadeh-Esfahani, Ali Motahharynia, [ ... ], Yousof Gheisari

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

Syed Ahmad, Sara Aslam, Ammara Khalid

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, [ ... ], Mohammad Nurul Matin

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

Jinhui Cao, Yanli Liu

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

Sugy Choi, Elizabeth Knopf, [ ... ], Jennifer McNeely

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