Abstract | ||
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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. |
Year | DOI | Venue |
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2001 | 10.1021/ci000116e | JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES |
Field | DocType | Volume |
Molecular descriptor,Combinatorics,Regression analysis,Correlation,Mathematics | Journal | 41 |
Issue | ISSN | Citations |
3 | 0095-2338 | 0 |
PageRank | References | Authors |
0.34 | 0 | 2 |
Name | Order | Citations | PageRank |
---|---|---|---|
Milan Randic | 1 | 635 | 203.52 |
Subhash C. Basak | 2 | 292 | 59.34 |