Quantitative structure-activity relationships of benzodiazepines by recursive cascade correlation

被引：0
|
作者：
Bianucci, AM [1 ]
Micheli, A [1 ]
Sperduti, A [1 ]
Starita, A [1 ]
机构：
[1] Dipartimento Sci Farmaceut, I-56126 Pisa, Italy
来源：
IEEE WORLD CONGRESS ON COMPUTATIONAL INTELLIGENCE | 1998年
关键词：
Cascade Correlation for Structures; Recursive Neural Networks; QSAR; benzodiazepines;
D O I：
暂无
中图分类号：
TP18 [人工智能理论];
学科分类号：
081104 ; 0812 ; 0835 ; 1405 ;
摘要：
An application of Recursive Cascade Correlation to the Quantitative Structure-Activity Relationships (QSAR) of a class of Benzodiazepines is presented. Recursive Cascade Correlation is a neural network model recently proposed for the processing of structured data. This allows the direct treatment of the chemical compounds as labeled ordered trees, which constitutes a novel approach to QSAR. Our approach compares favorably versus the traditional QSAR treatment based on equations.
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页码：117 / 122
页数：6
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