Vashist N, Sambi S S, Kumar P, Narasimhan B
University School of Chemical Technology, Guru Gobind Singh Indraprastha University, New Delhi, India.
Faculty of Pharmaceutical Sciences, Maharshi Dayanand University, Rohtak, India.
Drug Res (Stuttg). 2015 May;65(5):225-30. doi: 10.1055/s-0034-1371828. Epub 2015 Jan 21.
QSAR analysis has been done to correlate antimicrobial activity of substituted benzimidazole derivatives with their physicochemical parameters. Developed QSAR models have been cross validated using leave one out (LOO) method. Statistical parameters like probable error of the coefficient of correlation (PE), least square error (LSE), Friedman's lack of fit measure (LOF), standard error of prediction (SEP) and quality value (Q) were also used to cross validate the models. QSAR studies established the importance of WAP, Mlog P and UI in describing the antimicrobial activities of substituted benzimidazole derivatives.
已进行定量构效关系(QSAR)分析,以关联取代苯并咪唑衍生物的抗菌活性与其理化参数。所开发的QSAR模型已使用留一法(LOO)进行交叉验证。还使用了诸如相关系数的可能误差(PE)、最小二乘误差(LSE)、弗里德曼失拟度量(LOF)、预测标准误差(SEP)和质量值(Q)等统计参数来对模型进行交叉验证。QSAR研究确定了加权原子对(WAP)、摩尔分配系数(Mlog P)和未占指数(UI)在描述取代苯并咪唑衍生物抗菌活性方面的重要性。