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通过对17个乙酰苯胺类化合物的分子电距矢量(MEDV)与其分子最小阻滞浓度(MBC)进行关联,建立多元线性回归模型:lgMBC=1.934-0.043×v5-0.094×v2-0.885×v9,R=0.896。随后采用留一法(LOO)交叉检验(CV)对模型进行了验证,相关系数Rcv=0.847。结果表明,该模型具有良好的稳定性和预测能力。
By correlating the molecular electronegativity vector (MEDV) of 17 acetanilide compounds with its molecular block concentration (MBC), multiple linear regression models were established: lgMBC = 1.934-0.043 × v5-0.094 × v2-0.885 × v9, R = 0.896. The model was then validated using the LOO cross test (CV) with a correlation coefficient of Rcv = 0.847. The results show that the model has good stability and predictive ability.