Chiral topological charge indices and quantitative structure-activity relationship
Zhang Qing · Jisuanji yu yingyong huaxue · 2004
The new chiral indices,called chiral topological charge indices,were obtained by extending topological charge indices.Thenew chiral indices were compared with the chiral indices approached by Julian-Qrtiz to predict the activity of compounds,and the betterQSAR model was obtained by using the former.Furthermore,the mathematical model was obtained by using artificial neural networks,which was superior than that obtained by using multiple linear regression analysis.