Applications of Genetic Algorithms on 2D-QSAR Analysis of Schiff Bases of Hydroxysemicarbazide as Ribonucleotide Reductase Inhibitors
Xie Zhi-mei · Journal of Hunan City University · 2007
Quantitative structure-activity relationships(QSARs) for 30 Schiff Bases of Hydroxysemicarbazide were studied.By using genetic algorithm(GA),a group of multiple regression models with high fitness scores and high predictabilities(R2,Rcv2 were up to 0.909 and 0.883,respectively) were generated.From the statistical analyses of the descriptors used in the evolution procedure,three of them,including the partition coefficient(APlog98),indicator(I),E-State key(sums)(S_sOH) were found to be the principal features affecting the biological activity,which supplies a guide for the design and reconstruction of new Ribonucleotide Reductase Inhibitors.