A quantitative structure-activity relationships （QSAR） study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calcul...A quantitative structure-activity relationships （QSAR） study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calculate some quantum chemical descriptors including electrostatic potentials and local charges at each atom, HOMO and LUMO energies, etc. Modeling of the solubility of thiazolidine- 4-carboxylic acid derivatives as a function of molecular structures was established by means of the partial least squares （PLS）. The subset of descriptors, which resulted in the low prediction error, was selected by genetic algorithm. This model was applied for the prediction of the solubility of some thiazolidine-4-carboxylic acid derivatives, which were not in the modeling procedure. The relative errors of prediction lower that -4% was obtained by using GA-PLS method. The resulted model showed high prediction ability with RMSEP of 3.8836 and 2.9500 for PLS and GA-PLS models, respectively.展开更多
The box office during the later Spring Festival shows an attractive prospect.This paper studied the factors affecting total box office during the broad Spring Festival which is from the Spring Festival to the Lantern ...The box office during the later Spring Festival shows an attractive prospect.This paper studied the factors affecting total box office during the broad Spring Festival which is from the Spring Festival to the Lantern Festival.Data of films released during the broad Spring Festival from the years 2016 to 2019 in China were gathered,and the impact of eight explanatory variables on the box office during the broad Spring Festival was empirically analyzed by partial least squares(PLS)regression with software SIMCA.The results suggest that word-of-mouth has the most positive effect on the box office during the broad Spring Festival.Later propaganda has a positive effect,while early promotion has a negative effect on the box office.Director’s influence has a positive effect,while actor’s influence does not contribute much to the box office.Length of the trailer has a negative effect.The film format of 2D or 3D doesn’t contribute much to the box office.展开更多
Boosting algorithms are a class of general methods used to improve the general periormance of regression analysis. The main idea is to maintain a distribution over the train set. In order to use the given distribution...Boosting algorithms are a class of general methods used to improve the general periormance of regression analysis. The main idea is to maintain a distribution over the train set. In order to use the given distribution directly, a modified PLS algorithm is proposed and used as the base learner to deal with the nonlinear multivariate regression problems. Experiments on gasoline octane number prediction demonstrate that boosting the modified PLS algorithm has better general performance over the PLS algorithm.展开更多
文摘A quantitative structure-activity relationships （QSAR） study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calculate some quantum chemical descriptors including electrostatic potentials and local charges at each atom, HOMO and LUMO energies, etc. Modeling of the solubility of thiazolidine- 4-carboxylic acid derivatives as a function of molecular structures was established by means of the partial least squares （PLS）. The subset of descriptors, which resulted in the low prediction error, was selected by genetic algorithm. This model was applied for the prediction of the solubility of some thiazolidine-4-carboxylic acid derivatives, which were not in the modeling procedure. The relative errors of prediction lower that -4% was obtained by using GA-PLS method. The resulted model showed high prediction ability with RMSEP of 3.8836 and 2.9500 for PLS and GA-PLS models, respectively.
基金Communication University of China Foundation,China(No.CUC18A015-2)Fundamental Research Funds for the Central Universities,China(No.CUC200D036)
文摘The box office during the later Spring Festival shows an attractive prospect.This paper studied the factors affecting total box office during the broad Spring Festival which is from the Spring Festival to the Lantern Festival.Data of films released during the broad Spring Festival from the years 2016 to 2019 in China were gathered,and the impact of eight explanatory variables on the box office during the broad Spring Festival was empirically analyzed by partial least squares(PLS)regression with software SIMCA.The results suggest that word-of-mouth has the most positive effect on the box office during the broad Spring Festival.Later propaganda has a positive effect,while early promotion has a negative effect on the box office.Director’s influence has a positive effect,while actor’s influence does not contribute much to the box office.Length of the trailer has a negative effect.The film format of 2D or 3D doesn’t contribute much to the box office.
基金This work was supported by the National High-tech Research and Development Program of China (No. 2003AA412110).
文摘Boosting algorithms are a class of general methods used to improve the general periormance of regression analysis. The main idea is to maintain a distribution over the train set. In order to use the given distribution directly, a modified PLS algorithm is proposed and used as the base learner to deal with the nonlinear multivariate regression problems. Experiments on gasoline octane number prediction demonstrate that boosting the modified PLS algorithm has better general performance over the PLS algorithm.
