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    Density functional methods study on the structures and spectral characteristics for pharmacophoric conformers, metabolites, and combined fragments of Erlotinib

    Erlotinib is an essential drug for the clinical treatment of non-small cell lung cancer, pancreatic cancer, and other cancers. Erlotinib tends to be conformation A rather than the pharmacophoric conformation B in...

    Yue-Yue Weng, **ang Sun, Long-**n Wang, Ying-Yi Liao, Chao-Jie Wang in Chemical Papers (2022)