Efficiency and precision in prediction of Chlorophyll-a using this model is still a pandemic among researchers, due to the natural conditions in ocean water systems itself, which involved chemical, biological and phys...Efficiency and precision in prediction of Chlorophyll-a using this model is still a pandemic among researchers, due to the natural conditions in ocean water systems itself, which involved chemical, biological and physical processes and interaction among them may affect the model performance drastically. Thus, to overcome this problem as well as to improve the strength of MLR, we proposed a hybrid approach, i.e., an Artificial Neural Network to the MLR coins as Artificial Neural Network-Multiple Linear Regression (ANN-MLR). To investigate the performance of the proposed model, we compared Multiple Linear Regression (MLR), Artificial Neural Network (ANN) and proposed hybrid Artificial Neural Network and Multiple Linear Regression (ANN-MLR) in the prediction of chlorophyll-a (chl-a) concentration by statistical measurement which are MSE and MAE. Achieving our objectives of study, we used 4 parameters, i.e. temperature (°C), pH, salinity (ppt), DO (ppm) at the Offshore Kuala Terengganu, Terengganu, Malaysia. The results showed that our proposed model can improve the performance of the model as compared to ANN and MLR due to small errors generated, error reduced, and increased the correlation coefficient for all parameters in both MSE and MAE, respectively. Thus, this result indicated that our proposed model is efficient, precise and almost perfect correlation as compared to ANN and MLR.展开更多
Quantitative structure–activity relationship study using artificial neural network (ANN) methodology were conducted to predict the inhibition constants of 127 symmetrical and unsymmetrical cyclic urea and cyclic cyan...Quantitative structure–activity relationship study using artificial neural network (ANN) methodology were conducted to predict the inhibition constants of 127 symmetrical and unsymmetrical cyclic urea and cyclic cyanoguanidine derivatives containing different substituent groups such as: benzyl, isopropyl, 4-hydroxybenzyl, ketone, oxime, pyrazole, imidazole, triazole and having anti-HIV-1 protease activities. The results obtained by artificial neural network give advanced regression models with good prediction ability. The two optimal artificial neural network models obtained have coefficients of determination of 0.746 and 0.756. The lowest prediction’s root mean square error obtained is 0.607. Artificial neural networks provide improved models for heterogeneous data sets without splitting them into families. Both the external and cross-validation methods are used to validate the performances of the resulting models. Randomization test is employed to check the suitability of the models.展开更多
文摘Efficiency and precision in prediction of Chlorophyll-a using this model is still a pandemic among researchers, due to the natural conditions in ocean water systems itself, which involved chemical, biological and physical processes and interaction among them may affect the model performance drastically. Thus, to overcome this problem as well as to improve the strength of MLR, we proposed a hybrid approach, i.e., an Artificial Neural Network to the MLR coins as Artificial Neural Network-Multiple Linear Regression (ANN-MLR). To investigate the performance of the proposed model, we compared Multiple Linear Regression (MLR), Artificial Neural Network (ANN) and proposed hybrid Artificial Neural Network and Multiple Linear Regression (ANN-MLR) in the prediction of chlorophyll-a (chl-a) concentration by statistical measurement which are MSE and MAE. Achieving our objectives of study, we used 4 parameters, i.e. temperature (°C), pH, salinity (ppt), DO (ppm) at the Offshore Kuala Terengganu, Terengganu, Malaysia. The results showed that our proposed model can improve the performance of the model as compared to ANN and MLR due to small errors generated, error reduced, and increased the correlation coefficient for all parameters in both MSE and MAE, respectively. Thus, this result indicated that our proposed model is efficient, precise and almost perfect correlation as compared to ANN and MLR.
文摘Quantitative structure–activity relationship study using artificial neural network (ANN) methodology were conducted to predict the inhibition constants of 127 symmetrical and unsymmetrical cyclic urea and cyclic cyanoguanidine derivatives containing different substituent groups such as: benzyl, isopropyl, 4-hydroxybenzyl, ketone, oxime, pyrazole, imidazole, triazole and having anti-HIV-1 protease activities. The results obtained by artificial neural network give advanced regression models with good prediction ability. The two optimal artificial neural network models obtained have coefficients of determination of 0.746 and 0.756. The lowest prediction’s root mean square error obtained is 0.607. Artificial neural networks provide improved models for heterogeneous data sets without splitting them into families. Both the external and cross-validation methods are used to validate the performances of the resulting models. Randomization test is employed to check the suitability of the models.
基金supported by the National Natural Science Foundationof China(20605003)National High Tech Project(2006AA02Z337)SRF for ROCS,and the“Special Funding for the Talent Enrollment”of Beijing University of Chemical Technology~~
