摘要
The molecular electronegativity-distance vector (MEDV) is employed to describe the chemical structure of bisphenol A analogs and their correlated estrogen activities. The result shows that the constructed models have good predictability and indicates substructures that may influence estrogen activities of chemicals.
The molecular electronegativity-distance vector (MEDV) is employed to describe the chemical structure of bisphenol A analogs and their correlated estrogen activities. The result shows that the constructed models have good predictability and indicates substructures that may influence estrogen activities of chemicals.
基金
This work was supported by the National Natural Science Foundation of China (Grant No. 20477018)
the "973" Program (Grant No. 2003CB415001)
the "863" Program (Grant No. 2001 AA640601-4).