Version 1
: Received: 16 February 2020 / Approved: 17 February 2020 / Online: 17 February 2020 (15:31:16 CET)
How to cite:
Wang, Q.; Yao, A.; Shokri, M.; Dineva, A.A. Predictive Modeling of Henry’s Law Constant in Chemical Structures Using LSSVM and ANFIS Algorithms. Preprints2020, 2020020248. https://doi.org/10.20944/preprints202002.0248.v1
Wang, Q.; Yao, A.; Shokri, M.; Dineva, A.A. Predictive Modeling of Henry’s Law Constant in Chemical Structures Using LSSVM and ANFIS Algorithms. Preprints 2020, 2020020248. https://doi.org/10.20944/preprints202002.0248.v1
Wang, Q.; Yao, A.; Shokri, M.; Dineva, A.A. Predictive Modeling of Henry’s Law Constant in Chemical Structures Using LSSVM and ANFIS Algorithms. Preprints2020, 2020020248. https://doi.org/10.20944/preprints202002.0248.v1
APA Style
Wang, Q., Yao, A., Shokri, M., & Dineva, A.A. (2020). Predictive Modeling of Henry’s Law Constant in Chemical Structures Using LSSVM and ANFIS Algorithms. Preprints. https://doi.org/10.20944/preprints202002.0248.v1
Chicago/Turabian Style
Wang, Q., Manouchehr Shokri and Adrienn A. Dineva. 2020 "Predictive Modeling of Henry’s Law Constant in Chemical Structures Using LSSVM and ANFIS Algorithms" Preprints. https://doi.org/10.20944/preprints202002.0248.v1
Abstract
Henry’s constants for different existing compounds in water have great importance in transfer calculations. Measurement of these constants face different difficulties including high costs of experiment and low accuracy of measurement apparatus. Due to these facts, proposing a low cost and accurate approach becomes highlighted. To this end, adaptive neuro-fuzzy inference system (ANFIS) and least squares support vector machine (LSSVM) have been used as Henry’s constant predictor tools. The molecular structure of compounds has been used as inputs of models. After training the models, the visual and mathematical studies of outputs have been done. The coefficients of determination of LSSVM and ANFIS algorithms are 0.999 and 0.990 respectively. According to the comprehensiveness of databank and accurate prediction of algorithms, it can be concluded that LSSVM and ANFIS algorithms are accurate methods for prediction of Henry’s constant in wide range of chemical structure of compounds in water.
Keywords
Henry’s Law; chemical structure; Artificial intelligence; LSSVM; ANFIS
Subject
Computer Science and Mathematics, Computational Mathematics
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
