Improving QSPR models for predicting standard enthalpy of formation with a hybrid approach for feature selection
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چکیده
منابع مشابه
Random forests for feature selection in QSPR Models - an application for predicting standard enthalpy of formation of hydrocarbons
BACKGROUND One of the main topics in the development of quantitative structure-property relationship (QSPR) predictive models is the identification of the subset of variables that represent the structure of a molecule and which are predictors for a given property. There are several automated feature selection methods, ranging from backward, forward or stepwise procedures, to further elaborated ...
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