金属离子水解常数pK1的人工神经网络研究
Study on Hydrolysis Constants pK1 of Metal Ions by using Artificial Neural Network
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关键词: 函数连接型神经网络 金属离子 水解常数
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Abstract: A functional-link net(FLN) was applied to study the relationships between the structural parameters of metal ions and their Hytrosis Constants pK1. These structural parameters such as radius, electric charge, electronegativity (electricity shouldering) and valence electron structure parameter of the metal ion. The results are satisfactory, and better than that obtained by using linearly statistic methods. Through comparing hytrolysis constants pK1 with hydration-energy ΔH, the non-linear characteristic of pK1 have deeply discussed. 19 unknown pK1 of metal ion were predicted with the method.
Keywords: functional-link net metal ions hytrosis constants pK1
 
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.金属离子水解常数pK1的人工神经网络研究[J].无机化学学报,2004,20(11):1334-1338.
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