Results 351 to 360 of about 4,190,416 (396)

Network pharmacology and molecular docking to explore mechanisms of clozapine-induced cardiac arrest. [PDF]

J Psychiatry Neurosci
Chen X, Zhuo C, Yang L, Zhang Q, Chao L.
europepmc   +1 more source

Machine Learning‐Enabled Drug‐Induced Toxicity Prediction

Advanced Science, Volume 12, Issue 16, April 24, 2025.
Unexpected toxicity accounts for 30% of drug development failures. This review highlights ML innovations in predicting drug‐induced toxicity, emphasizing comparative analyses, interpretable algorithms, and multi‐source data integration. It categorizes toxicity types, summarizes ML models, and organizes key databases, offering strategies to address ...
Changsen Bai, Lianlian Wu, Ruijiang Li, Yang Cao, Song He, Xiaochen Bo   +5 more
wiley   +1 more source

Molecular docking analysis of breast cancer target RAC1B with ligands. [PDF]

Bioinformation
Verma K, Pillai L.
europepmc   +1 more source

Investigating the pharmacological mechanisms of clopidogrel for carotid stenosis treatment based on network pharmacology and molecular docking techniques. [PDF]

Clin Exp Med
Wang X, Lu H, Xie J, Zhang C.
europepmc   +1 more source

Discovery of Genomic Targets and Therapeutic Candidates for Liver Cancer Using Single-Cell RNA Sequencing and Molecular Docking. [PDF]

Biology (Basel)
Biswas B, Sugimoto M, Hoque MA.
europepmc   +1 more source

Green Extraction Strategies and Bioactivity of <i>Rheum cordatum</i> Losinsk: Antioxidant, Antimicrobial, and Molecular Docking Insights. [PDF]

Plants (Basel)
Amangeldinova M, Ersatır M, Necip A, Cimentepe M, Kudrina N, Terletskaya N, Cimentepe OO, Cakır O, Yilmaz MA, Yildirim M.   +9 more
europepmc   +1 more source

Evaluating the Mechanism Underlying Multi-Compound Synergy of Banxia Decoction in the Treatment of Hashimoto's Thyroiditis Based on Network Pharmacology and Molecular Docking. [PDF]

Int J Gen Med
Chen J, Wen F, Zhou J, Tan M.
europepmc   +1 more source

Molecular docking-guided in-depth investigation of the biological activities and phytochemical and mineral profiles of endemic Phlomis capitata. [PDF]

J Sci Food Agric
İzol E.
europepmc   +1 more source

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Applying molecular docking to pesticides

Pest Management Science, 2023
AbstractPesticide creation is related to the development of sustainable agricultural and ecological safety, and molecular docking technology can effectively help in pesticide innovation. This paper introduces the basic theory behind molecular docking, pesticide databases, and docking software.
Yang Hou, Yuqian Bai, Chang Lu, Qiuchan Wang, Zishi Wang, Jinsheng Gao, Hongliang Xu   +6 more
openaire   +3 more sources