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The octanol/water partition coefficient (Kow) is an important physical parameters to describe their behavior in the environment. However, because of some reasons, it is difficult to determine the octanol/water partition coefficient of each compound accurately. In this paper, we will introduce RBF neural network and molecular bond connectivity index to forecast the solubility of organic compounds in...
At present, the multivariate linear regression analysis was adopted mostly in the biological toxicity forecast through establishment equation of the QSAR, but the error forecasted was big in many situations because of the complexity and nonlinearity of structure-activity relationship, and it has a high request to the sample selection, In this paper forecast model of the nitrobenzene compound biological...
A model of the relationship between the structure of alcohols and their chromatographic retention index has been set by Randic branch index, but the error forecasted was big in many situations because of the complexity and nonlinearity of structure-activity relationship, and it has a high request to the sample selection. A model based on radial basis function (RBF) neural network for determining the...
To accurately predict messenger RNA polyadenylation sites of the model plant Arabidopsis, we developed a new program using the method of High-Dimensional Space Points' Covering, based on Biomimetic Pattern Recognition Theory. Upon analysis of experimental data and comparing with the results produced by Support Vector Machine, it is demonstrated that our program is reliable and effective judged by...
A model of back_propagation artificial neural network based on Levenberg_Marquardt algorithm for determining the relations between the structure of alcohols and their chromatographic retention indix has been set by means of topological indices. The forecasting results are good when it makes use of the BP neural network to carry out the forecasting, the correlation coefficient has reached 0.999. Therefore,the...
At present, the multivariate linear regression analysis was adopted in the biological toxicity forecast through establishment equation of the QSAR mostly, but the error forecasted was big in many situations because of the complexity and nonlinearity of structure-activity relationship, and it has a high request to the sample selection. In this paper forecast model of the nitrobenzene compound biological...
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