ETM ANN Approach Application for Thiobenzamide and Quinolizidine Derivatives
Yazarlar (5)
M. Saracoglu
Erciyes Üniversitesi, Türkiye
Erciyes Üniversitesi, Türkiye
Prof. Dr. Fatma Kandemirli Kocaeli Üniversitesi, Türkiye
V. Kovalishyn
Institute Of Bioorganic Chemistry And Petrochemistry Of National Academy Of Sciences Of Ukraine, Ukrayna
Institute Of Bioorganic Chemistry And Petrochemistry Of National Academy Of Sciences Of Ukraine, Ukrayna
T. Arslan
Eskişehir Osmangazi Üniversitesi, Türkiye
Eskişehir Osmangazi Üniversitesi, Türkiye
E. E. Ebenso
North-West University, Güney Afrika Cumhuriyeti
North-West University, Güney Afrika Cumhuriyeti
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Journal of Biomedicine and Biotechnology | ||
| Dergi ISSN | 1110-7243 | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2010 |
| Cilt / Sayı / Sayfa | 2010 / 1 / 1–12 | DOI | 10.1155/2010/693031 |
| Makale Linki | http://www.hindawi.com/journals/bmri/2010/693031/ | ||
| UAK Araştırma Alanları |
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| Özet |
| The structure anti‐influenza activity relationships of thiobenzamide and quinolizidine derivatives, being influenza fusion inhibitors, have been investigated using the electronic‐topological method (ETM) and artificial neural network (ANN) method. Molecular fragments specific for active compounds and breaks of activity were calculated for influenza fusion inhibitors by applying the ETM. QSAR descriptors such as molecular weight, EHOMO, ELUMO, ΔE, chemical potential, softness, electrophilicity index, dipole moment, and so forth were calculated, and it was found to give good statistical qualities (classified correctly 92%, or 48 compounds from 52 in training set, and 69% or 9 compounds from 13 in the external test set). By using multiple linear regression, several QSAR models were performed with the help of calculated descriptors and the compounds activity data. Among the obtained QSAR models, statistically the … |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
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| Web of Science | 3 |
| Google Scholar | 2 |