dc.contributor.author | Belaidi S. | |
dc.contributor.author | Kerassa A. | |
dc.contributor.author | Lanez T. | |
dc.contributor.author | Cinar M. | |
dc.date.accessioned | 20.04.201910:49:12 | |
dc.date.accessioned | 2019-04-20T21:44:05Z | |
dc.date.available | 20.04.201910:49:12 | |
dc.date.available | 2019-04-20T21:44:05Z | |
dc.date.issued | 2015 | |
dc.identifier.issn | 1546-1955 | |
dc.identifier.uri | https://dx.doi.org/10.1166/jctn.2015.3999 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12403/765 | |
dc.description.abstract | Quantitative structure activity relationship studies were performed on a series of 3-(aryl)-N-(aryl)- 1,2,4-oxadiazol-5-amines as anti-proliferative agents, multiple linear regression analysis was performed to derive quantitative structure activity relationship models which were further evaluated internally for the prediction of activity. The developed models were cross-validated by the 'leave one out' technique as well as by the calculation of statistical parameters. The best QSAR model i.e., model-2 (R2 = 0 906, Fischer's test value F = 12066) has acceptable statistical quality and predictive potential as indicated by the value of cross validated squared correlation coefficient (q2 = 0 907). The present investigation indicates the importance of the quantum chemical descriptors, constitutional descriptors and hydrophobicity to study the anti-proliferative activity. © 2015 American Scientific Publishers All rights reserved. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | American Scientific Publishers | |
dc.relation.isversionof | 10.1166/jctn.2015.3999 | |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | 1,2,4-Oxadiazole-5-Amine | |
dc.subject | Anti-Proliferative Activity | |
dc.subject | MLR | |
dc.subject | QSAR Model | |
dc.subject | Linear regression | |
dc.subject | Molecular graphics | |
dc.subject | Quantum chemistry | |
dc.subject | Regression analysis | |
dc.subject | Structures (built objects) | |
dc.subject | 1,2,4-Oxadiazole-5-Amine | |
dc.subject | Anti-proliferative activities | |
dc.subject | MLR | |
dc.subject | Multiple linear regression analysis | |
dc.subject | QSAR model | |
dc.subject | Quantitative structure activity relationship | |
dc.subject | Quantitative structure activity relationship studies | |
dc.subject | Squared correlation coefficients | |
dc.subject | Computational chemistry | |
dc.subject | 1,2,4-Oxadiazole-5-Amine | |
dc.subject | Anti-Proliferative Activity | |
dc.subject | MLR | |
dc.subject | QSAR Model | |
dc.subject | Linear regression | |
dc.subject | Molecular graphics | |
dc.subject | Quantum chemistry | |
dc.subject | Regression analysis | |
dc.subject | Structures (built objects) | |
dc.subject | 1,2,4-Oxadiazole-5-Amine | |
dc.subject | Anti-proliferative activities | |
dc.subject | MLR | |
dc.subject | Multiple linear regression analysis | |
dc.subject | QSAR model | |
dc.subject | Quantitative structure activity relationship | |
dc.subject | Quantitative structure activity relationship studies | |
dc.subject | Squared correlation coefficients | |
dc.subject | Computational chemistry | |
dc.title | Structure'activity relationships and quantitative structure'activity relationships modeling of some 3-(aryl)-N-(aryl)-1,2,4-Oxadiazol-5-Amine derivatives as anti-proliferative agents | en_US |
dc.type | article | en_US |
dc.relation.journal | Journal of Computational and Theoretical Nanoscience | en_US |
dc.contributor.department | Bayburt University | en_US |
dc.contributor.authorID | 6602639857 | |
dc.contributor.authorID | 56175631600 | |
dc.contributor.authorID | 8421699000 | |
dc.contributor.authorID | 15764678000 | |
dc.identifier.volume | 12 | |
dc.identifier.issue | 9 | |
dc.identifier.startpage | 2127 | |
dc.identifier.endpage | 2133 | |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |