吉非替尼分子红外光谱的模拟计算

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吉非替尼(Gefitinib)又名易瑞沙(lressa),是第一个被FDA批准上市用于治疗晚期非小细胞肺癌(NSCLC)的靶向药物[1-2].红外光谱是有机功能团鉴定及结构研究的常用方法,是鉴化合物的重要手段.
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