| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 15402 | Computational Biology and Chemistry | 2006 | 4 Pages |
Abstract
Optimal descriptors calculated with Simplified Molecular Input Line Entry System (SMILES) notation have been used in quantitative structure–property relationships (QSPR) modeling electrochemical half-wave potential of benzoxazine derivatives by one-variable correlations.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Bioengineering
Authors
Andrey Toropov, Karel Nesmerak, Ivan Raska Jr., Karel Waisser, Karel Palat,