| Yazarlar |
Prof. Dr. Fatma KANDEMİRLİ
Kocaeli Üniversitesi, Türkiye |
Shvets Natalt
|
|
Kovalishyn Vasyl
|
|
Dimoglo Anatoly
|
| 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. © 2005 Elsevier Inc. All rights reserved. |
| Anahtar Kelimeler |
| electronic-topological method,neural networks,hydroxysemicarbazides |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | JOURNAL OF MOLECULAR GRAPHICS & MODELLING |
| Dergi ISSN | 1093-3263 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 09-2006 |
| Cilt No | 25 |
| Sayı | 1 |
| Sayfalar | 30 / 36 |
