Artificial neural network and fragment approach in prediction of physicochemical properties of organic compoundsстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:An approach based on fragmental descriptors (occurrence number of structural fragments in chemical structures) in conjunction with the artificial neural network technique was developed for predicting the physicochemical properties of organic compounds. The construction of neural network models for predicting the viscosity, density, and saturated vapor pressure for various classes of organic compounds is discussed.