| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7630552 | Journal of Pharmaceutical and Biomedical Analysis | 2014 | 9 Pages |
Abstract
- Correlation of analytes' behavior in HPLC with its passive transfer in the body.
- Analytes' druggability simulation by modeling their retention and 73 descriptors.
- Evidence of the similarity of the retention behavior and druggability of analytes.
- Matrix representation of the analytes based on experimentally assessed druggability.
Keywords
PLSRMSEPANNsADMERP-HPLCPAPMAPCAPrincipal component analysisParallel artificial membrane permeability assayAbsorption distribution metabolism excretionPartial least squaresroot mean square error of predictionartificial neural networksCorrelation coefficientOctanol/water partition coefficientPRESSdrug-likenessLog Dlog PReversed phase high performance liquid chromatography
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Maria G. Kouskoura, Kyriakos G. Kachrimanis, Catherine K. Markopoulou,