𝔖 Bobbio Scriptorium
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Use of Graph-Theoretical Parameters to Predict Activity of Organosilane Insecticides

✍ Scribed by Cash, Gordon G.

Book ID
101216334
Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
186 KB
Volume
49
Category
Article
ISSN
1526-498X

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✦ Synopsis

Descriptions have appeared in the literature of insecticide analogues in which silicon was substituted for quaternary carbon. The interest in these compounds was that they appeared to be approximately as toxic to the target species as the carbon analogues but signiÐcantly less acutely toxic to Ðsh. In the present paper, chemical graph theory and principal component analysis were applied to a series of these silane compounds to predict insecticidal activity, thereby unlocking the potential to identify promising candidates for chemical synthesis. Good correlations (r [ 0Γ‰9) were demonstrated, and possible physical interpretations of the relevant graph-theoretical parameters were discussed.

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