dc.contributor.author | Afantitis, Antreas | en |
dc.contributor.author | Melagraki, G. | en |
dc.contributor.author | Sarimveis, H. | en |
dc.contributor.author | Koutentis, Panayiotis Andreas | en |
dc.contributor.author | Markopoulos, J. | en |
dc.contributor.author | Igglessi-Markopoulou, O. | en |
dc.creator | Afantitis, Antreas | en |
dc.creator | Melagraki, G. | en |
dc.creator | Sarimveis, H. | en |
dc.creator | Koutentis, Panayiotis Andreas | en |
dc.creator | Markopoulos, J. | en |
dc.creator | Igglessi-Markopoulou, O. | en |
dc.date.accessioned | 2019-11-21T06:16:15Z | |
dc.date.available | 2019-11-21T06:16:15Z | |
dc.date.issued | 2006 | |
dc.identifier.uri | http://gnosis.library.ucy.ac.cy/handle/7/55231 | |
dc.description.abstract | A linear quantitative structure-activity relationship (QSAR) model is presented for modeling and predicting induction of apoptosis by 4-aryl-4H-chromenes. The model was produced by using the multiple linear regression (MLR) technique on a database that consists of 43 recently discovered 4-aryl-4H-chromenes. Among the 61 different physicochemical, topological, and structural descriptors that were considered as inputs to the model, seven variables were selected using the elimination selection-stepwise regression method (ES-SWR). The physical meaning of each descriptor is discussed. The accuracy of the proposed MLR model is illustrated using the following evaluation techniques: cross-validation, validation through an external test set, and Y-randomization. Furthermore, the domain of applicability which indicates the area of reliable predictions is defined. © 2006 Elsevier Ltd. All rights reserved. | en |
dc.source | Bioorganic and Medicinal Chemistry | en |
dc.source.uri | https://www.scopus.com/inward/record.uri?eid=2-s2.0-33747174628&doi=10.1016%2fj.bmc.2006.05.061&partnerID=40&md5=532a097aa010fa24ff44fb0d833212b4 | |
dc.subject | article | en |
dc.subject | Algorithms | en |
dc.subject | Regression Analysis | en |
dc.subject | Predictive Value of Tests | en |
dc.subject | linear regression analysis | en |
dc.subject | randomization | en |
dc.subject | Reproducibility of Results | en |
dc.subject | validation process | en |
dc.subject | Apoptosis | en |
dc.subject | data base | en |
dc.subject | diagnostic accuracy | en |
dc.subject | Molecular Conformation | en |
dc.subject | physical chemistry | en |
dc.subject | Benzopyrans | en |
dc.subject | QSAR | en |
dc.subject | quantitative structure activity relation | en |
dc.subject | Quantitative Structure-Activity Relationship | en |
dc.subject | Models, Molecular | en |
dc.subject | multiple linear regression analysis | en |
dc.subject | Chemistry, Physical | en |
dc.subject | chromene derivative | en |
dc.subject | Chromenes | en |
dc.subject | Data Interpretation, Statistical | en |
dc.subject | Molecular modeling | en |
dc.title | A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromenes | en |
dc.type | info:eu-repo/semantics/article | |
dc.identifier.doi | 10.1016/j.bmc.2006.05.061 | |
dc.description.volume | 14 | |
dc.description.issue | 19 | |
dc.description.startingpage | 6686 | |
dc.description.endingpage | 6694 | |
dc.author.faculty | 002 Σχολή Θετικών και Εφαρμοσμένων Επιστημών / Faculty of Pure and Applied Sciences | |
dc.author.department | Τμήμα Χημείας / Department of Chemistry | |
dc.type.uhtype | Article | en |
dc.description.notes | <p>Cited By :66</p> | en |
dc.source.abbreviation | Bioorg.Med.Chem. | en |
dc.contributor.orcid | Koutentis, Panayiotis Andreas [0000-0002-4652-7567] | |
dc.contributor.orcid | Afantitis, Antreas [0000-0002-0977-8180] | |
dc.contributor.orcid | Igglessi-Markopoulou, O. [0000-0002-7683-8526] | |
dc.gnosis.orcid | 0000-0002-4652-7567 | |
dc.gnosis.orcid | 0000-0002-0977-8180|0000-0002-7683-8526 | |