Electronic Topological and Neural Network Approaches to the Structure Antimycobacterial Activity Relationships Study On Hydrazones Derivatives
Yazarlar (8)
Prof. Dr. Fatma Kandemirli Kastamonu Üniversitesi, Türkiye
Doç. Dr. Can Doğan VURDU Kastamonu Üniversitesi, Türkiye
Murat Alper Başaran Akdeniz Üniversitesi, Türkiye
Hakan Sezgin Sayiner Adiyaman Üniversitesi, Türkiye
Nathaly Shvets
Gebze Teknik Üniversitesi, Türkiye
Gebze Teknik Üniversitesi, Türkiye
Anatholy Dimoglo
Gebze Teknik Üniversitesi, Türkiye
Gebze Teknik Üniversitesi, Türkiye
Vasyl Kovalish Institute Of Bioorganic Chemistry And Petrochemistry Of National Academy Of Sciences Of Ukraine, Ukrayna
Turgay Polat Kastamonu Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Medicinal Chemistry | ||
| Dergi ISSN | 1573-4064 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2015 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 18-12-2014 |
| Cilt / Sayı / Sayfa | 11 / 1 / 77–85 | DOI | 10.2174/1573406410666140428144334 |
| Makale Linki | http://www.eurekaselect.com/openurl/content.php?genre=article&issn=1573-4064&volume=11&issue=1&spage=77 | ||
| Özet |
| That the implementation of Electronic-Topological Method and a variant of Feed Forward Neural Network (FFNN) called as the Associative Neural Network are applied to the compounds of Hydrazones derivatives have been employed in order to construct model which can be used in the prediction of antituberculosis activity. The supervised learning has been performed using (ASNN) and categorized correctly 84.4% of them, namely, 38 out of 45. Ph1 pharmacophore and Ph2 pharmacophore consisting of 6 and 7 atoms, respectively were found. Anti-pharmacophore features socalled “break of activity” have also been revealed, which means that APh1 is found in 22 inactive molecules. Statistical analyses have been carried out by using the descriptors, such as EHOMO, ELUMO, ΔE, hardness, softness, chemical potential, electrophilicity index, exact polarizibility, total of electronic and zero point energies, dipole … |
| Anahtar Kelimeler |
| Antimycobacterial activity | Associative neural network | DFT | Electronic topological method | Hydrazide-hydrazones | QSAR |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 1 |
| Scopus | 1 |
| Google Scholar | 1 |