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Predictive toxicology

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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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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Skeletal muscle index, grip strength, and physical performance as predictors of severe chemotherapy toxicity among older adults with malignancy

Efthymios Papadopoulos, Dmitry Rozenberg, Andy Kin On Wong, Sharon Hiu Ching Law, Sarah Costa, Angela M. Cheung, Shabbir M. H. Alibhai

published 19 Nov 2025

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Identification of novel therapeutic inhibitors against E6 and E7 oncogenes of HPV-16 associated with cervical cancer

Saima Younas, Zaryab Ikram Malik, Muhammad Umer Khan, Sadia Manzoor, Hafiz Muzzammel Rehman, Hafiz Muhammad Hammad, Shahina Akter

published 27 Oct 2025

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New chalcone compound exhibits microrna-mediated anticancer properties in glioblastoma

Denis Mustafov, Shoib S. Siddiqui, Shagufta , Irshad Ahmad, Joanne Charlton, Jim Gkantalis, Patricia Rodriguez, Maria Braoudaki

published 26 Sep 2025

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Botulinum toxin type A success rates and predictive factors for favourable outcomes in paediatric patients with acquired esotropia

Narisa Rattanalert, Teechaya Nonboonyawat, Supaporn Tengtrisorn, Penny Singha, Orapan Aryasit, Juthamat Witthayaweerasak, Manupol Tangthongkum

published 12 Sep 2025

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Deep learning-based classification of peptide analytes from single-channel nanopore translocation events

Bryan A. Krantz

published 11 Sep 2025

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Integrative network toxicology and molecular docking reveal 4-Nonylphenol’s multifaceted mechanisms in breast cancer pathogenesis

Congli Jia, Fu Yang

published 09 Sep 2025

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Targeted drug screening for autism based on Cav1.2 calcium ion channel

Chao Liu

published 29 May 2025

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