This work has been supported by the projects of Scientific Research Fund of Hunan Provincial Education Department of China (No. 05B020), National Natural Science Foundation of China (No. 20435010) and Open Research fund of State Key Laboratory of Chemo/Biosensing and Chemometrics, China (No. 2005010).
机构署名：
本校为第一且通讯机构
院系归属：
化学与生物工程学院
摘要：
The quantitative structure-activity relationship (QSAR) for neutral carriers used to prepare hydrogen ion sensors has been studied. A series of synthesized carrier compounds were taken as the training set. Five molecular structure parameters of the compounds were calculated by using CNDO/2 algorithm and used as feature variables in constructing QSAR model. The lower and upper limits of the linear pH response range were taken as the activity measure. The corresponding model equations were derived from the stepwise regression procedure. With the ...
