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Computer-assisted structure/taste studies on sulfamates by pattern recognition methods

✍ Scribed by Yoshikatsu Miyashita; Yoshimasa Takahashi; Chiyozo Takayama; Takehiko Ohkubo; Kimito Funatsu; Shin-Ichi Sasaki


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
420 KB
Volume
184
Category
Article
ISSN
0003-2670

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✦ Synopsis


Structure/taste relationships for fifty carbosulfamates were investigated by means of pattern recognition. The SIMCA method was used to classify the compounds into sweet or unsweet categories. As a result of feature selection, four descriptors were shown to be significant in modelling the sweet compounds. A compound predicted to be sweet by the model equation was synthesized and found to be three times sweeter than sucrose.


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Computer assisted structure–taste studie
✍ Tohru Okuyama; Yoshikatsu Miyashita; Shigehiko Kanaya; Hiroyuki Katsumi; Shin-Ic πŸ“‚ Article πŸ“… 1988 πŸ› John Wiley and Sons 🌐 English βš– 944 KB

Structure-taste relationships for 25 acyclic and 20 cyclic carbosulfamates were investigated by means of pattern recognition using different graph theoretical invariants as molecular substituent descriptors. The SIMCA method was used to classify the compounds into sweet and nonsweet classes. All sel