QSAR Study of the Biologically Active Organosulfurs in Natural Products
The biological activities of two sets of a total of 30 different polysulfides were investigated using QSAR.The semiempirical AM1 in Gaussian 2003 for windows was used to optimize the structures whereas a subsequent calculation of hundreds of various types of descriptors at the density functional (B3LYP/6-31G*) using CODESSA package B12 INSTANT ENER