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机器学习模型的开发和验证,用于预测含有蛋白氨酸酸酶2抑制剂的SH-2

Nilanjan Adhikari1, Senthil Raja Ayyannan2

  • 1Pharmaceutical Chemistry Research Laboratory II, Department of Pharmaceutical Engineering and Technology, Indian Institute of Technology (Banaras Hindu University), Varanasi, UP, 221005, India.

Molecular diversity
|August 8, 2023
PubMed
概括

机器学习模型是为了预测小分子SHP2抑制剂的抑制潜力而开发的. XGBoost 模型表现出高精度,加速了新型癌症治疗方法的发现.

关键词:
机器学习是机器学习.在QSAR中使用QSAR.含有SH2的蛋白质铁酸酸酶2这是一种SHP2抑制剂.虚拟选是一个虚拟的选.

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