首页> 外文会议>Annual meeting of the Controlled Release Society >QSPR ANALYSIS ON INHIBITION OF RECOMBINANT CYP3A4 ACTIVITY BY STRUCTURALLY DIVERSE COMPOUNDS USING GENETIC ALGORITHM COMBINED PARTIAL LEAST SQUARES METHOD
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QSPR ANALYSIS ON INHIBITION OF RECOMBINANT CYP3A4 ACTIVITY BY STRUCTURALLY DIVERSE COMPOUNDS USING GENETIC ALGORITHM COMBINED PARTIAL LEAST SQUARES METHOD

机译:QSPR利用遗传算法组合局部最小二乘法通过结构多样化化合物抑制重组CYP3A4活性的QSPR分析

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Inhibitory effect of 52 structurally diverse drugs on the metabolism of 7-benzyloxy-4-trifluoromethylcoumarin (BFC) by recombinant CYP3A4 was evaluated using a rapid microtiter plate assay and were used for QSPR modeling. Genetic algorithm combined partial least squares (GA-PLS) method gave a fairly good QSPR model for predicting the interaction with CYP3A4.
机译:使用快速的微量滴定板测定评估52种结构各种药物对7-苄氧基-4-三氟甲基乌林(BFC)的代谢的抑制作用,并用于QSPR建模。遗传算法组合的局部最小二乘(GA-PLS)方法给出了一个相当好的QSPR模型,用于预测与CYP3A4的交互。

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