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Citation: Qi Yuhua, Xu Lu, Yang Jia'an. Studies on Structures and Activities of Pyrones with Quantum-Chemical Descriptors and Topological Indices[J]. Chinese Journal of Applied Chemistry, ;1999, 16(6): 17-20. shu

Studies on Structures and Activities of Pyrones with Quantum-Chemical Descriptors and Topological Indices

1.
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022

Received Date: 5 March 1999
Available Online: 11 August 1999
Fund Project: 国家自然科学基金资助项目(29677016) (29677016)

The quantum-chemical descriptors and topological indices have been used in QSAR study of pyrones and the algorithms of "Stepwise regression" and "Leaps and bounds regression" are performed for selection of the variables.The results obtained by using the quasi-Newton neural networks are better than that obtained by multiregression.
- pyrone,
- QSAR,
- quantum-chemical descriptor,
- topological index
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