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ETM and ANN Study for Polysubstituted 2H Pyran 2 Ones    
Yazarlar
Murat Saracoglu
Erciyes Üniversitesi, Turkey
Murat Alper Basaran
Akdeniz Üniversitesi, Turkey
Pallavi Thul
University of Lucknow, India
Hakan Sayiner
Adiyaman Üniversitesi, Turkey
Sedat Giray Kandemirli
Hacettepe Üniversitesi, Turkey
Ved Prakash Gupta
University of Lucknow, India
Prof. Dr. Fatma KANDEMİRLİ Prof. Dr. Fatma KANDEMİRLİ
Kastamonu Üniversitesi, Türkiye
Özet
The structure glutamate pyruvate transaminase (GPT), glutamate oxaloacetate transaminase (GOT), acid phosphatase (ACP), alkaline phosphatase (ALP) and glutamate dehydrogenase (GlDH) activity relationships of 2H-pyran-2-ones polysubstitutes being a new class of hepatoprotective agents have been investigated by means of the Electronic-Topological Method (ETM) and two Statistical Analysis. Molecular fragments specific for active compounds were calculated for 2H-pyran-2-ones polysubstitutes by applying the ETM. QSAR descriptors such as molecular weight, EHOMO, ELUMO, ΔE, chemical potential, softness, electrophilicity index, dipole moment, etc were calculated. In order to examine the relationship between independent and dependent variables, both Partial Least Squares Regression and ANNs are employed to determine the relationship since the data set consists of highly nonlinearity and multicolinearity. It is observed that ANN has surpassed both PLS2 and PLS1 in terms of better modeling and validation. © 2013 Bentham Science Publishers.
Anahtar Kelimeler
Artificial neural networks | Electronic-topological method | Partial least squares regression | QSAR
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Medicinal Chemistry
Dergi ISSN 1573-4064
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 07-2013
Cilt No 9
Sayı 6
Sayfalar 867 / 874
Doi Numarası 10.2174/1573406411309060011
Makale Linki http://www.eurekaselect.com/openurl/content.php?genre=article&issn=1573-4064&volume=9&issue=6&spage=867
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
ETM and ANN Study for Polysubstituted 2H Pyran 2 Ones

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