نتایج جستجو برای: Quantitative structure-property relationship
تعداد نتایج: 2430634 فیلتر نتایج به سال:
in this work the electrooxidation half-wave potentials of some benzoxazines were predicted from their structural molecular descriptors by using quantitative structure-property relationship (qsar) approaches. the dataset consist the half-wave potential of 40 benzoxazine derivatives which were obtained by dc-polarography. descriptors which were selected by stepwise multiple selection procedure ar...
it is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. quantitative structure – activity relationship (qsar) studies and quantitative structure –property relationship (qspr) studies are active areas of chemical research that focus on the nature ofthis dependency. topological indices are the numerical value associated with chemical constitution...
It is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. Quantitative structure – activity relationship (QSAR) studies and quantitative structure –property relationship (QSPR) studies are active areas of chemical research that focus on the nature ofthis dependency. Topological indices are the numerical value associated with chemical constitution...
in this work, quantitative structure-property relationship (qspr) approaches were used to predict the redox potential of 42 phenolic antioxidants. the structures of all compounds optimized by the am1 semi-empirical method and then a large number of molecular descriptors were calculated for each compound in the data set. subsequently, stepwise multilinear regression was applied to select the mos...
in this work, quantitative structure-property relationship (qspr) approaches were used to predict the redox potential of 42 phenolic antioxidants. the structures of all compounds optimized by the am1 semi-empirical method and then a large number of molecular descriptors were calculated for each compound in the data set. subsequently, stepwise multilinear regression was applied to select the mos...
با توجه به اهمیت کاربرد ثابت قانون هنری و نیز مشکلات مربوط به اندازه گیری تجربی این ثابت، از جمله گستردگی ترکیبات شیمیایی، خطاهای اندازه گیری، هزینه بالا و زمانبری نسبتاً طولانی آزمایشات، لزوم ارائه روابط و مدلهای پیشگویی را مشخص می کند. در این بین پیشگویی ثابت قانون هنری ترکیبات آلی در سیستم های زیست محیطی (آب-هوا) از اهمیت ویژه ای برخوردار است. با توجه به مطالعات اولیه انجام گرفته چنین برمی آی...
in new management approaches, in the organizations with inflexible structure, existing of red tapes and interruptions caused by limitations and also non-compliance with environmental changes, create demotivation among staff. with regard to the influence of job motivational potential and its relationship to the type of organizational structure( enabling and dissuasive), the goal of this research...
This commentary describes two simple procedures using commercially available software packages that greatly facilitate the creation of and replication of data sets intended for quantitative structure activity relationship (QSAR) and quantitative structure property relationship (QSPR) studies. Used properly, the procedures allow the capture of individual chemical structures from the Chemical Abs...
Assessing exposures from the thousands of chemicals in commerce requires quantitative information on the chemical constituents of consumer products. Unfortunately, gaps in available composition data prevent assessment of exposure to chemicals in many products. Here we propose filling these gaps via consideration of chemical functional role. We obtained function information for thousands of chem...
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