Combined electronic topological and neural networks study of some hydroxysemicarbazides as potential antitumor agents
Yazarlar (4)
Prof. Dr. Fatma Kandemirli Kocaeli Üniversitesi, Türkiye
N. Shvets Gebze Teknik 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
A. Dimoglo Gebze Teknik Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Graphics and Modelling | ||
| Dergi ISSN | 1093-3263 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2006 |
| Cilt / Sayı / Sayfa | 25 / 1 / 30–36 | DOI | 10.1016/j.jmgm.2005.10.011 |
| UAK Araştırma Alanları |
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| Özet |
| Structure–activity relationships study was performed for a series of Schiff bases hydroxysemicarbazide as potential antitumor agents by using the electronic-topological method combined with neural networks (ETM-NN). Data for the approach were obtained from conformational and quantum–chemical calculations and arranged first as matrices called electronic-topological matrices of contiguity, by one for each compound. Then specific molecular fragments were found for active compounds (‘activity features’) from the ETM application. After this, a system of prognosis was developed as the result of training the Kohonen self-organizing maps (SOM) by the most significant fragments. |
| Anahtar Kelimeler |
| Electronic-topological method | Hydroxysemicarbazides | Neural networks |
Science Direct
Combined electronic topological and neural networks study of some hydroxysemicarbazides as potential antitumor agents
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 5 |
| Google Scholar | 11 |