Performance Analysis Of Neural Network Models For Oxazolines And Oxazoles Derivatives Descriptor Dataset
This work addresses drug discovery for tuberculosis by comparing neural network models, but it is incremental as it applies existing methods to a new dataset.
The paper tackled predicting antitubercular activity of Oxazolines and Oxazoles derivatives using neural networks, finding that the Quantile regression neural network (QRNN) model outperformed others in statistical tests.
Neural networks have been used successfully to a broad range of areas such as business, data mining, drug discovery and biology. In medicine, neural networks have been applied widely in medical diagnosis, detection and evaluation of new drugs and treatment cost estimation. In addition, neural networks have begin practice in data mining strategies for the aim of prediction, knowledge discovery. This paper will present the application of neural networks for the prediction and analysis of antitubercular activity of Oxazolines and Oxazoles derivatives. This study presents techniques based on the development of Single hidden layer neural network (SHLFFNN), Gradient Descent Back propagation neural network (GDBPNN), Gradient Descent Back propagation with momentum neural network (GDBPMNN), Back propagation with Weight decay neural network (BPWDNN) and Quantile regression neural network (QRNN) of artificial neural network (ANN) models Here, we comparatively evaluate the performance of five neural network techniques. The evaluation of the efficiency of each model by ways of benchmark experiments is an accepted application. Cross-validation and resampling techniques are commonly used to derive point estimates of the performances which are compared to identify methods with good properties. Predictive accuracy was evaluated using the root mean squared error (RMSE), Coefficient determination(???), mean absolute error(MAE), mean percentage error(MPE) and relative square error(RSE). We found that all five neural network models were able to produce feasible models. QRNN model is outperforms with all statistical tests amongst other four models.