KAJIAN HUBUNGAN KUANTITATIF STRUKTUR ELEKTRONIK DAN AKTIVITAS TABIR SURYA IN VITRO SENYAWA ISOAMILSINAMAT TERSUBSTITUSI = QSAR STUDY OF SUBSTITUTED ISOAMYLCINNAMIC USING ELECTRONIC STRUCTURE ..
| Main Author: | Perpustakaan UGM, i-lib |
|---|---|
| Format: | Article NonPeerReviewed |
| Terbitan: |
[Yogyakarta] : Universitas Gadjah Mada
, 2002
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| Subjects: | |
| Online Access: |
https://repository.ugm.ac.id/22526/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=5439 |
Daftar Isi:
- Quantitative Electronic Structure and Activities Relationship (QSAR) has been studied for a series of substituted cinnamic compounds.. QSAR analysis was based on linear regression calculation using atomic net charges as the predictors. The activity of each sunscreen compound is represented by logarithmic value of a concentration, which gives an optimum Sun Protection Factor (SPF) value. The in vitro SPF was collected experimentally by UV spectrometry method. The charges were resulted by computational chemistry methods using semiempirical AM1 method and continued with Mulliken population analysis. Multiple linear regressions used to determine QSAR model and resulted the "best" QSAR model i.e: log (C) = 0,883 + 93,584.( ) + 1,903.(qc, ) + 7,893.( )+43,501.(81) n= 9 r2=0,9357 SE = 0,2359 Fhitung/Ftabel 2,2778 Keywords : isoamyl cinnamic, QSAR, drug design