3D quantitative structure–activity relationships study on anti-gastric cancer of chrysin derivatives

In this paper, 3D-QSAR models were constructed to conduct a preliminary study on the structure–activity relationship of chrysin. The three-dimensional structures of the selected 54 chrysin derivatives were constructed by SYBYL-X 2.0 software, molecular mechanics procedures for conformational optimiz...

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Veröffentlicht in:Journal of mathematical chemistry 2023-05, Vol.61 (5), p.1205-1216
Hauptverfasser: Liu, Yunmei, Tian, Zejie, Li, Hui, Liu, Zhenhua, Shi, Lei, Yang, Lingyan
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Sprache:eng
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