摘要
采用函数连接型神经网络 (FLN)的方法 ,以金属离子的电荷、半径、价电子结构、电负性及适配价轨道数因子为参数 ,成功地关联了 30种已知的金属 -HEDTA配合物稳定常数logK值 ,并在此基础上 ,预报了包括所有锕系元素在内的 39种金属
A functional-link net(FLN) was applied to study the relationships between the structural parameters of metal ions and their stability constants of HEDTA complexes,with the parameters of electric charges(Z), radii(r),electronic numbers of the valence layer(f,d,s), outer-shell electronic numbers(n),lectronegativities(x p),adaptive valence orbit number factors(w) of metallic ions.The resultsare satisfactory.And stability constants data of 39 metallic ions without experimental data were predicted.
基金
国家自然科学基金资助项目!(No .2 97750 0 1)
关键词
函数连接型神经网络
HEDTA配合物
金属离子
artificial neural network
functional-link net(FLN)
Metallic ions
HEDTA complexes
stability constants
