Prediction of enzyme activity with neural network models based on electronic and geometrical features of substrates
نویسندگان
چکیده
منابع مشابه
Prediction of enzyme activity with neural network models based on electronic and geometrical features of substrates.
BACKGROUND Artificial Neural Networks (ANNs) are introduced as robust and versatile tools in quantitative structure-activity relationship (QSAR) modeling. Their application to the modeling of enzyme reactivity is discussed, along with methodological issues. Methods of input variable selection, optimization of network internal structure, data set division and model validation are discussed. The ...
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ژورنال
عنوان ژورنال: Pharmacological Reports
سال: 2012
ISSN: 1734-1140
DOI: 10.1016/s1734-1140(12)70873-3