Discovering the Active Ingredients of Medicine and Food Homologous Substances for Inhibiting the Cyclooxygenase-2 Metabolic Pathway by Machine Learning Algorithms.

Tian, Yujia; Zhang, Zhixing; Yan, Aixia

Tian, Yujia; Zhang, Zhixing; Yan, Aixia.

Afiliación

Tian Y; State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, Beijing University of Chemical Technology, 15 Beisanhuan East Road, Beijing 100029, China.
Zhang Z; State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, Beijing University of Chemical Technology, 15 Beisanhuan East Road, Beijing 100029, China.
Yan A; Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, China.

Molecules ; 28(19)2023 Sep 23.

Article en En | MEDLINE | ID: mdl-37836625

Asunto(s)

Antiinflamatorios; Inhibidores de la Ciclooxigenasa 2; Inhibidores de la Ciclooxigenasa 2/farmacología; Ciclooxigenasa 2; Simulación del Acoplamiento Molecular; Algoritmos; Aprendizaje Automático; Redes y Vías Metabólicas

Palabras clave

anti-inflammation; ensemble learning; machine learning; medicine and food homology (MFH); virtual screening

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Texto completo: 1 Base de datos: MEDLINE Asunto principal: Inhibidores de la Ciclooxigenasa 2 / Antiinflamatorios Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2023 Tipo del documento: Article

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