scholarly journals Novel Degree-Based Topological Descriptors of Carbon Nanotubes

2021 ◽  
Vol 2021 ◽  
pp. 1-15
Author(s):  
M. C. Shanmukha ◽  
A. Usha ◽  
M. K. Siddiqui ◽  
K. C. Shilpa ◽  
A. Asare-Tuah

The most significant tool of mathematical chemistry is the numerical descriptor called topological index. Topological indices are extensively used in modelling of chemical compounds to analyse the studies on quantitative structure activity/property/toxicity relationships and combinatorial library virtual screening. In this work, an attempt is made in defining three novel descriptors, namely, neighborhood geometric-harmonic, harmonic-geometric, and neighborhood harmonic-geometric indices. Also, the aforementioned three indices along with the geometric-harmonic index are tested for physicochemical properties of octane isomers using linear regression models and computed for some carbon nanotubes.

2018 ◽  
Author(s):  
A. César-Razquin ◽  
E. Girardi ◽  
M. Yang ◽  
M. Brehme ◽  
J. Sáez-Rodríguez ◽  
...  

AbstractThe interplay between drugs and cell metabolism is a key factor in determining both compound potency and toxicity. In particular, how and to what extent transmembrane transporters affect drug uptake and disposition is currently only partially understood. Most transporter proteins belong to two protein families: the ATP-Binding Cassette (ABC) transporter family, whose members are often involved in xenobiotic efflux and drug resistance, and the large and heterogeneous family of Solute carriers (SLCs). We recently argued that SLCs are collectively a rather neglected gene group, with most of its members still poorly characterized, and thus likely to include many yet-to-be-discovered associations with drugs. We searched publicly available resources and literature to define the currently known set of drugs transported by ABCs or SLCs, which involved ~500 drugs and more than 100 transporters. In order to extend this set, we then mined the largest publicly available pharmacogenomics dataset, which involves approximately 1000 molecularly annotated cancer cell lines and their response to 265 chemical compounds, and used regularized linear regression models (Elastic Net, LASSO) to predict drug responses based on SLC and ABC data (expression levels, SNVs, CNVs). The most predictive models included both known and previously unidentified associations between drugs and transporters. To our knowledge, this represents the first application of regularized linear regression to this set of genes, providing an extensive prioritization of potentially pharmacologically interesting interactions.


2014 ◽  
Vol 962-965 ◽  
pp. 1753-1756 ◽  
Author(s):  
Renan de Oliveira Silva ◽  
Eliane da Silva Christo ◽  
Kelly Alonso Costa

The study of forecasting of energy in Brazil is important for future planning, as the country has experienced crises of energy supply. And a model developed in java is an affordable and efficient tool to be used both in Brazil and in other countries. Time series analysis is highly important in many different application areas, for it allows description and modeling of a variable of interest’s behavior, thus enabling the forecasting of its future values, which serves as support for decision making. When the data used in regression analysis comprises time series, the dependency between the observations grants a dynamic quality to the regression model. In this situation, it is common to come across a problem known as residual autocorrelation, which invalidates the assumptions made about the term of error in the classical linear regression models. This paper presents a program created in Java by implementing the method of Cochrane-Orcutt for the correction of residual autocorrelation. And the application is made in the Brazilian energy final consumption forecasting.


2021 ◽  
Vol 2131 (2) ◽  
pp. 022110
Author(s):  
V Misyura ◽  
M Bogacheva ◽  
E Misyura

Abstract In the traditional approach of obtaining time series forecasts based on the selected model, the model parameters are first estimated, then a point forecast using the obtained estimatesis made and then an interval forecast with a given probability is made. In the article the authors propose a nonparametric method for obtaining a single-stage interval forecasting of a time series based on constructing predictive and target variables sets using robust statistics and obtaining the forecast boundaries by constructing linear regression models. The predictive algorithm is based on the problems of estimating the parameters of linear multiple regression using a model regularization methods. The results of forecasting prove the expediency and effectiveness of the proposed method.


2018 ◽  
Vol 23 (1) ◽  
pp. 60-71
Author(s):  
Wigiyanti Masodah

Offering credit is the main activity of a Bank. There are some considerations when a bank offers credit, that includes Interest Rates, Inflation, and NPL. This study aims to find out the impact of Variable Interest Rates, Inflation variables and NPL variables on credit disbursed. The object in this study is state-owned banks. The method of analysis in this study uses multiple linear regression models. The results of the study have shown that Interest Rates and NPL gave some negative impacts on the given credit. Meanwhile, Inflation variable does not have a significant effect on credit given. Keywords: Interest Rate, Inflation, NPL, offered Credit.


Author(s):  
Nykolas Mayko Maia Barbosa ◽  
João Paulo Pordeus Gomes ◽  
César Lincoln Cavalcante Mattos ◽  
Diêgo Farias Oliveira

2003 ◽  
Vol 5 (3) ◽  
pp. 363 ◽  
Author(s):  
Slamet Sugiri

The main objective of this study is to examine a hypothesis that the predictive content of normal income disaggregated into operating income and nonoperating income outperforms that of aggregated normal income in predicting future cash flow. To test the hypothesis, linear regression models are developed. The model parameters are estimated based on fifty-five manufacturing firms listed in the Jakarta Stock Exchange (JSX) up to the end of 1997.This study finds that empirical evidence supports the hypothesis. This evidence supports arguments that, in reporting income from continuing operations, multiple-step approach is preferred to single-step one.


2021 ◽  
Vol 20 (1) ◽  
Author(s):  
Jaffer Okiring ◽  
Adrienne Epstein ◽  
Jane F. Namuganga ◽  
Victor Kamya ◽  
Asadu Sserwanga ◽  
...  

Abstract Background Malaria surveillance is critical for monitoring changes in malaria morbidity over time. National Malaria Control Programmes often rely on surrogate measures of malaria incidence, including the test positivity rate (TPR) and total laboratory confirmed cases of malaria (TCM), to monitor trends in malaria morbidity. However, there are limited data on the accuracy of TPR and TCM for predicting temporal changes in malaria incidence, especially in high burden settings. Methods This study leveraged data from 5 malaria reference centres (MRCs) located in high burden settings over a 15-month period from November 2018 through January 2020 as part of an enhanced health facility-based surveillance system established in Uganda. Individual level data were collected from all outpatients including demographics, laboratory test results, and village of residence. Estimates of malaria incidence were derived from catchment areas around the MRCs. Temporal relationships between monthly aggregate measures of TPR and TCM relative to estimates of malaria incidence were examined using linear and exponential regression models. Results A total of 149,739 outpatient visits to the 5 MRCs were recorded. Overall, malaria was suspected in 73.4% of visits, 99.1% of patients with suspected malaria received a diagnostic test, and 69.7% of those tested for malaria were positive. Temporal correlations between monthly measures of TPR and malaria incidence using linear and exponential regression models were relatively poor, with small changes in TPR frequently associated with large changes in malaria incidence. Linear regression models of temporal changes in TCM provided the most parsimonious and accurate predictor of changes in malaria incidence, with adjusted R2 values ranging from 0.81 to 0.98 across the 5 MRCs. However, the slope of the regression lines indicating the change in malaria incidence per unit change in TCM varied from 0.57 to 2.13 across the 5 MRCs, and when combining data across all 5 sites, the R2 value reduced to 0.38. Conclusions In high malaria burden areas of Uganda, site-specific temporal changes in TCM had a strong linear relationship with malaria incidence and were a more useful metric than TPR. However, caution should be taken when comparing changes in TCM across sites.


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