A new descriptor for structure-property and structure-activity correlations

We consider an improvement of a multiple regression analysis (MRA) for the correlation of boiling points of alcohols using descriptors that involve a variable part. In the search for the best descriptors based on weighted pat hs we came upon a novel molecular descriptor, the use of which was apparent ly overlooked in the past. The novel descriptor counts paths of length thre e; however, only those associated with an oxygen atom are counted.