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   informatics aided qsrr study of retention index of some volatile compounds  
   
نویسنده farmany abbas
منبع journal of medicinal and pharmaceutical chemistry research - 2019 - دوره : 1 - شماره : 3 - صفحه:242 -247
چکیده    In the present work, an artificial neural network (ann) model was used to study the quantitative structure retention relationship (qsrr) of retention index (ri) of some volatile compounds in natural cocoa and conched chocolate powder. molecular structural descriptors are selected using genetic algorithm to construct the nonlinear qsrr models, kernel partial least squares pls (kpls) and levenberg marquardt artificial neural network (l-m ann) were employed.
کلیدواژه volatile compounds ,qsrr ,levenberg-marquardt artificial neural network
آدرس hamadan university of medicinal sciences, dental research center, iran
پست الکترونیکی a.farmany@ut.ac.ir
 
     
   
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