The structure-activity correlation in a series of stilbene derivatives and related compounds, the inducers of apoptosis

The structure-property correlation based on the fragment description of the molecular structure is used for the calculation of the antiproliferative and apoptosis-inducing activity of a series of the trans- and cis-stilbene derivatives and related compounds. To construct a simple model, from the entire set of fragment descriptors the most efficient ones were selected using an original algorithm. The result is a large collection of similar by accuracy simple models involving different variables. The fragment contributions that appears in the models most often correspond to the elements of molecular structure that are most important for the activity, and we can assume that the more such elements in the structure of a compound, the more active it is.