Name
Title | ||
|---|---|---|
Wavelet Neural Network and Its Application to the Inclusion of -Cyclodextrin with Benzene Derivatives |
Abstract | ||
|---|---|---|
A wavelet neural network (WNN) was constituted and applied to the inclusion complexation of beta-cyclodextrin with mono- and 1,4-disubstituted benzenes. The association constant (K-a) values have been calculated by the WNN from substituent molar refraction (R-m), hydrophobic constant (pi), and Hammett constant (sigma) of the guest compounds as input parameters. The excellent prediction results with a correlation coefficient of 0.992 and standard deviation of 0.089 suggested that beta-CD inclusion complexation is mainly driven by van der Waals force, hydrophobic interaction, and electronic effects. |
Year | DOI | Venue |
|---|---|---|
1999 | 10.1021/ci980097x | JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES |
DocType | Volume | Issue |
Journal | 39 | 1 |
ISSN | Citations | PageRank |
0095-2338 | 3 | 0.80 |
References | Authors | |
2 | 2 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Lei Liu | 1 | 11 | 3.42 |
| Qing-xiang Guo | 2 | 8 | 2.70 |