Name
Abstract | ||
|---|---|---|
The partitioning of 29 small organic probes in a PEG-2000/(NH4)(2)SO4 biphasic system was investigated using a quantitative structure-property relationship (QSPR) approach. A three-descriptor equation with the squared correlation coefficient (R-2) of 0.97 for the partition coefficient (log D) was obtained. All descriptors were derived solely from the chemical structure of the compounds. Using the same descriptors, a three-parameter model was also obtained for log P (octanol/water, R-2 = 0.89); predicted log P values were used as an external descriptor for modeling log D. |
Year | DOI | Venue |
|---|---|---|
2004 | 10.1021/ci034194o | JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES |
DocType | Volume | Issue |
Journal | 44 | 1 |
ISSN | Citations | PageRank |
0095-2338 | 3 | 0.62 |
References | Authors | |
2 | 8 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Alan R. Katritzky | 1 | 266 | 48.69 |
| Kaido Tämm | 2 | 3 | 0.62 |
| Minati Kuanar | 3 | 3 | 0.62 |
| Dan Fara | 4 | 16 | 4.89 |
| Alexander A. Oliferenko | 5 | 21 | 4.29 |
| Polina V. Oliferenko | 6 | 20 | 3.93 |
| Jonathan G. Huddleston | 7 | 4 | 1.31 |
| Robin D. Rogers | 8 | 9 | 2.61 |