Autocorrelation topological study on the acute toxicities of substituted aromatic compounds
Qin Zheng-long · Chemical engineer · 2006
A novel autocorrelation topological index ~tF based on the A_i,which is a characteristic value of bioactivity for atom i,is derived.The zero topological index ~0F and first topological index ~1F among ~tF are defined as ~0F=∑(A_i) and ~1F=∑(A_i·A_j). ~0F and ~1F are highly correlated with acute toxicities of substituted aromatic compounds to photobacterium phosphoreum,pimephales promelas.their correlation coefficients are 0.9124,0.9679 respectively.It is demonstrated that this method is easy to compute and convenient in application.The estimated results are all batter than the relevant achievement of literatures.