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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 650-656 |
| Number of pages | 7 |
| Journal | Journal of chemical information and computer sciences |
| Volume | 41 |
| Issue number | 3 |
| DOIs | |
| State | Published - Dec 1 2001 |