scholarly journals Ligandbased Virtual screening using Fuzzy Correlation Coefficient

2011 ◽  
Vol 19 (9) ◽  
pp. 38-43 ◽  
Author(s):  
Ali Ahmed ◽  
Ammar Abdo ◽  
Naomie Salim
2021 ◽  
pp. 1-13
Author(s):  
Paul Augustine Ejegwa ◽  
Shiping Wen ◽  
Yuming Feng ◽  
Wei Zhang ◽  
Jia Chen

Pythagorean fuzzy set is a reliable technique for soft computing because of its ability to curb indeterminate data when compare to intuitionistic fuzzy set. Among the several measuring tools in Pythagorean fuzzy environment, correlation coefficient is very vital since it has the capacity to measure interdependency and interrelationship between any two arbitrary Pythagorean fuzzy sets (PFSs). In Pythagorean fuzzy correlation coefficient, some techniques of calculating correlation coefficient of PFSs (CCPFSs) via statistical perspective have been proposed, however, with some limitations namely; (i) failure to incorporate all parameters of PFSs which lead to information loss, (ii) imprecise results, and (iii) less performance indexes. Sequel, this paper introduces some new statistical techniques of computing CCPFSs by using Pythagorean fuzzy variance and covariance which resolve the limitations with better performance indexes. The new techniques incorporate the three parameters of PFSs and defined within the range [-1, 1] to show the power of correlation between the PFSs and to indicate whether the PFSs under consideration are negatively or positively related. The validity of the new statistical techniques of computing CCPFSs is tested by considering some numerical examples, wherein the new techniques show superior performance indexes in contrast to the similar existing ones. To demonstrate the applicability of the new statistical techniques of computing CCPFSs, some multi-criteria decision-making problems (MCDM) involving medical diagnosis and pattern recognition problems are determined via the new techniques.


Author(s):  
Prasanthi Polamreddy ◽  
Vinita Vishwakarma ◽  
Manoj Kumar Mahto

Objective: The objective of the current study was to elucidate the 3D pharmacophoric features of benzothiadiazine derivatives that are crucial for inhibiting Hepatitis C virus (HCV) Non-structural protein 5B (NS5B) and quantifying the features by building an atom based 3D quantitative structure-activity relationship (3D QSAR) model.Methods: Generation of QSAR model was carried out using PHASE 3.3.Results: A five-point pharmacophore model with two hydrogen bond acceptors, one negative ionization potential and two aromatic rings (AANRR) was found to be common among a maximum number of benzothiadiazine based NS5B inhibitors. A statistically significant 3D QSAR model was obtained from AANRR.6 which had correlation-coefficient (R2) value of 0.924, cross-validated correlation-coefficient (Q2) of 0.774, high Fisher ratio of 138 and low root mean square standard error (RMSE=0.29). There is another parameter, Pearson’s R, its value emphasizes correlation between predicted and observed activities of the test set. For the current model, Pearson’s R-value is 0.90, hence underlining the good quality of the model. The present study suggests that nitrogen atom of benzothiadiazine sulfamide ring, oxyacetamide group attached to C7 carbon of benzothiadiazine and sulfonamide oxygens are crucial for NS5B inhibitory activity. Prediction of activities of hit drugs generated in earlier research suggests that Aprepitant (Phase predicted activity: 6.9) could be a potential NS5B inhibitor.Conclusion: This 3D QSAR model developed was statistically good and can be used to predict the activities of newly designed NS5B inhibitors and virtual screening as well. Predict the activities of newly designed NS5B inhibitors and virtual screening as well.


2016 ◽  
Vol 22 (4) ◽  
pp. 471-492 ◽  
Author(s):  
Olimpia-Iuliana BAN ◽  
Ioan Gheorghe TARA ◽  
Victoria BOGDAN ◽  
Delia TUŞE ◽  
Simona Gabriela BOLOGA

An indirect method of calculation of the importance of attributes as the fuzzy correlation between the performance of attributes and the overall satisfaction was proposed in a recent paper. We apply the method to the results of a survey with respect to the quality of hotel services in Oradea (Romania). Different representations of the answers as triangular fuzzy numbers, as well as distinct analyzes to compare the hierarchies of the attributes with respect to the experience with the hotel and the motivation of the travel are considered.


Mathematics ◽  
2019 ◽  
Vol 7 (10) ◽  
pp. 999 ◽  
Author(s):  
Jin ◽  
Wu ◽  
Sun ◽  
Zeng ◽  
Luo ◽  
...  

As a generalization of several fuzzy tools, picture fuzzy sets (PFSs) hold a special ability to perfectly portray inherent uncertain and vague decision preferences. The intention of this paper is to present a Pearson’s picture fuzzy correlation-based model for multi-attribute decision-making (MADM) analysis. To this end, we develop a new correlation coefficient for picture fuzzy sets, based on which a Pearson’s picture fuzzy closeness index is introduced to simultaneously calculate the relative proximity to the positive ideal point and the relative distance from the negative ideal point. On the basis of the presented concepts, a Pearson’s correlation-based model is further presented to address picture fuzzy MADM problems. Finally, an illustrative example is provided to examine the usefulness and feasibility of the proposed methodology.


2013 ◽  
Vol 2013 ◽  
pp. 1-11 ◽  
Author(s):  
Toly Chen ◽  
Yi-Chi Wang

This study proposes a multiobjective fuzzy nonlinear programming (MOFNP) approach to enhance the long-term yield competitiveness of a semiconductor manufacturing factory. By modeling the long-term competitiveness of every product in a semiconductor manufacturing plant with the fuzzy correlation coefficient (FCC) between time and instantaneous competitiveness, the proposed model considers the various viewpoints when interpreting the overall competitiveness of the semiconductor manufacturing plant in the long-term. All noninferior solutions of the MOFNP solutions are then derived using a systematic procedure. A real example is employed to illustrate the applicability of the proposed methodology.


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