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.

引用

页码：117 / 122

页数：6

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