Location of amide I mode of vibration in computed data utilizing constructed neural networks

摘要

An automatic location method of amide I mode of vibration between computed data is proposed, based on the well established neural network model of artificial intelligence. This method was developed by constructing and testing the neural network on previously computed and characterized data which were divided in the training and the testing set, respectively. The results show high level of success since the majority of amide I modes of vibration in the testing set were located 99.5%.