APLIKASI METODE REGRESI DAN JARINGAN SYARAF TIRUAN UNTUK KAJIAN HKSA INSEKTISIDA TURUNAN FTALAMIDA
| Main Authors: | , Adi Syahputra, , Prof. Drs. Mudasir, M.Eng., Ph.D. |
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| Format: | Thesis NonPeerReviewed |
| Terbitan: |
[Yogyakarta] : Universitas Gadjah Mada
, 2013
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| Subjects: | |
| Online Access: |
https://repository.ugm.ac.id/123983/ http://etd.ugm.ac.id/index.php?mod=penelitian_detail&sub=PenelitianDetail&act=view&typ=html&buku_id=64101 |
Daftar Isi:
- Study of Quantitative Structure Activity Relationship (QSAR) to design new insecticidal compounds from phatalamides containing hydrazone (FMH) derivatives has been done using theoritical electronic, hydrofobic and steric descriptors. The descriptors data were obtained from geometrical optimization process based on PM6 semiempirical method. The Insecticidal activities of Lethal Concentration (LC50) were taken from literature, showing the lethal concentration to the Myzus persicae insect. The analysis of relationship between insecticidal activities and descriptors has been done using Multi Linier Regression (MLR), Principal Component Regression (PCR) and Artificial Neural Network (ANN) methods. The best QSAR equation was obtained from ANN analysis indicated by its higher correlation coefficient compared to those of other methods, i.e. 0.88 with ANN architecture of 5-9-1. QSAR equation obtained from ANN analysis is used as a guidance to design new insecticides and it used to calculate insecticidal activities of FMH derivatives. Three new potent insecticide compounds were obtained based on ANN analysis result with higher activity than have been synthesized, e.g.2-(decalinecarbamoyl)-5-chloro-N�-((5-methylthiophen-2-yl)methylene) benzohydrazide (number 47), 2-(decalinecarbamoyl)-5-chloro-N�-((thiophen-2-yl)- methylene) benzohydrazide (number 37) and 2-(decalinecarbamoyl)-N�-(4- fluorobenzylidene)-5-chlorobenzohydrazide (number 28) with log LC50 values are 1.640