Study on the Relationships Between the Structures and Activity of the 2-formylpyridine Thiosemicarbazone Compounds
Wen Zhang · Journal of Hebei University of Technology · 2002
The quantum-chemical descriptors, topological indices Am (Am1, Am2, Am3) and molecular connectivity indices mx1 of the 24 2-formylpyridine thiosemicarbazone compounds were calculated. The algorithms orthogonal descriptors and Leaps-and-Bonds regression were performed for variables selection. Multiregression and the quasi-Newton neural network calculations have been carried out, the results obtained by using neural network are much better than those obtained by using multiregression. The activity mechanisms have been briefly discussed.