Determination of Molecular Weight and Acentric Factor of Pure Components Using the Least Square Support Vector Machine
Publish place: سومین کنفرانس سراسری نوآوری های اخیر در شیمی و مهندسی شیمی
Publish Year: 1395
Type: Conference paper
Language: English
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Document National Code:
CHCONF03_288
Index date: 26 February 2017
Determination of Molecular Weight and Acentric Factor of Pure Components Using the Least Square Support Vector Machine abstract
In this article, least square support vector machine (LSSVM) is used to develop a fast and accurate non-group contribution model for estimation of molecular weight and acentric factor of pure components. Experimental data of 563 pure compounds from various chemical groups are used to develop this predictive model. Using this robust model, excellent results are achieved in estimation of molecular weight and acentric factor. Average absolute percent relative error of 6.39% and 2.17% are obtained for prediction of molecular weight and acentric factor, respectively. Furthermore, statistical and graphical error analysis proved that the proposed model gives more accurate prediction in comparison to previously developed methods
Determination of Molecular Weight and Acentric Factor of Pure Components Using the Least Square Support Vector Machine Keywords:
Determination of Molecular Weight and Acentric Factor of Pure Components Using the Least Square Support Vector Machine authors
Amir Varamesh
University of Tehran
Forough Ameli
Iran University of Science and Technology
Abdolhossein Hemmati-Sarapardeh
Amirkabir University of Technology
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