title: A new descriptor for structure-property and structure-activity correlations.
abstract: 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 paths we came upon a novel molecular descriptor, the use of which was apparently overlooked in the past. The novel descriptor counts paths of length three; however, only those associated with an oxygen atom are counted.
authors: Department of Mathematics and Computer Science, Drake University, Des Moines, Iowa 50311, USA.
authors: M
authors: M
authors: Randić
authors: S C
authors: SC
authors: Basak