Search results for "multiple linear regression"
showing 10 items of 40 documents
Search of Chemical Scaffolds for Novel Antituberculosis Agents
2005
3 A method to identify chemical scaffolds potentially active against Mycobacterium tuberculosis is presented. The molecular features of a set of structurally heterogeneous antituberculosis drugs were coded by means of structural invariants. Three tech- niques were used to obtain equations able to model the antituberculosis activity: linear discriminant analysis, multilinear re- gression, and shrinkage estimation-ridge regression. The model obtained was statistically validated through leave-n-out test, and an external set and was applied to a database for the search of new active agents. The selected compounds were assayed in vitro, and among those identified as active stand reserpine, N,N,N…
Dynamics of the general factor of personality: A predictor mathematical tool of alcohol misuse
2020
[EN] There are few studies developed about the general factor of personality (GFP) dynamics. This paper uses a dynamical mathematical model, the response model, to predict the short-term effects of a dose of alcohol on GFP and reports the results of an alcohol intake experiment. The GFP dynamical mechanism of change is based on the unique trait personality theory (UTPT). This theory proposes the existence of GFP, which occupies the apex of the hierarchy of personality. An experiment with 37 volunteers was performed. All the participants completed The five-adjective scale of the general factor of personality (GFP-FAS) in trait-format (GFP-T) and state-format (GFP-S) before alcohol consumptio…
Multiple criteria assessment of methods for forecasting building thermal energy demand
2020
Abstract Nowadays worldwide directives have focused the attention on improving energy efficiency in the building sector. The research of models able to predict the energy consumption from the first design and energy planning phase is conducted to improve building sustainability. Use of traditional forecasting tools for building thermal energy demand tends to encounter difficulties relevant to the amount of data required, implementation of the models, computational costs and inability to generalize the output. Therefore, many studies focused on the research and development of alternative resolution methods, but the choice of the most convenient is not clear and simple. Single comparison of s…
Carotid restenosis is associated with plasma ADMA concentrations in carotid endarterectomy patients
2011
Abstract Background: The aim of this work has been to study the association between plasma asymmetric dimethylarginine (ADMA) concentrations and carotid stenosis in a group of 64 patients undergoing carotid endarterectomy (CEA). Methods: Arginine, ADMA and symmetric dimethylarginine (SDMA) were measured using capillary electrophoresis with UV detection. An evaluation of plasma concentrations of total cysteine (tCys) and total homocysteine (tHcy) was also performed. Results: Pearson’s analysis show a positive correlation between ADMA and carotid stenosis (r=0.37, p=0.003), which is also confirmed after stepwise multiple linear regression analysis. ADMA plasma concentrations were significantl…
Application of molecular topology in the prediction of new compounds with anti-trypanosomal cytotoxic activity
2021
La enfermedad de Chagas es una antropozoonosis parasitaria de transmisión mayoritariamente vectorial. Si bien afecta principalmente a América, constituye una de las mayores enfermedades desatendidas a nivel mundial. Solamente dos fármacos con un alto grado de toxicidad se encuentran disponibles para su tratamiento, por lo que es preciso aunar esfuerzos en pos del desarrollo de nuevas drogas antitripanosomales eficaces y con escasos efectos adversos. En este estudio, se aplicó la topología molecular para el desarrollo de un modelo QSAR capaz de predecir la actividad citotóxica antitripanosomal de un grupo de 39 compuestos. El modelo desarrollado mediante análisis lineal discriminante permiti…
13C NMR study on the methoxy carbon chemical shifts in chloro-substituted anisoles and guaiacols
1983
The 13C NMR chemical shifts of methoxy carbons in chlorinated anisoles and guaiacols have been measured for acetone-d6 solutions. Multiple linear regression analysis, and also ‘simple sum rule’ calculations, have been used to estimate the effects of the chlorine atoms (the position and degree of substitution) on the chemical shifts. The most important effects have shown to be due to the chlorine atoms adjacent to the methoxy and hydroxy substituents. For chlorinated guaiacols, the greatest effect is due to the chlorine atom adjacent to the methoxy group. For chlorinated anisoles, the substituents adjacent to the methoxy group (2,6-disubstitution) cause large effects. For both groups of comp…
Gas chromatographic study of acetyl derivatives of chlorinated 4-hydroxybenzaldehydes
1982
The GC retention times of 4-hydroxybenzaldehyde and its chloro derivatives have been measured on three nonpolar capillary columns. Multiple linear regression analysis has been used to explain the mobility of chlorinated compounds relative to the reference compound 4-hydroxybenzaldehyde. The most important effects have shown to be due to the number of chlorine atoms and the substituents ortho to the formyl group. Other effects have also been observed but found to be unable to explain the GC data.
1H and13C NMR spectroscopy of brominated diphenyl ethers. A multiple linear regression analysis
2000
The 1H and 13C NMR chemical shifts and 1H, 1H coupling constants of 27 brominated diphenyl ethers are reported. The increment models for the bromine substituent effects on the 1H and 13C NMR chemical shifts were constructed based on a multiple linear regression analysis. In addition to the single substituent effects, two particle increments and corrective terms for conformational effects are included in these models in order to obtain a reliable prediction of chemical shifts. Copyright © 2000 John Wiley & Sons, Ltd.
A statistical study of the additivity of substituent effects on the5J(HH) long-range coupling constant of the formyl proton in substituted benzaldehy…
1982
The additivity of chloro and hydroxy substituent effects on the formyl proton spin-spin coupling constants with the meta ring proton, 5J(HH), has been tested with 15 chlorinated benzaldehydes and hydroxybenzaldehydes by multiple linear regression analysis. No general additivity rule was detected with whole data. Using benzaldehyde as the reference substance, a good correlation was achieved for p-hydroxybenzaldehydes. The same reference compound was not suitable for o-hydroxy derivatives; a much better correlation was observed using o-hydroxybenzaldehyde as a reference compound in the latter case.
Building energy performance forecasting: A multiple linear regression approach
2019
Abstract Different ways to evaluate the building energy balance can be found in literature, including comprehensive techniques, statistical and machine-learning methods and hybrid approaches. The identification of the most suitable approach is important to accelerate the preliminary energy assessment. In the first category, several numerical methods have been developed and implemented in specialised software using different mathematical languages. However, these tools require an expert user and a model calibration. The authors, in order to overcome these limitations, have developed an alternative, reliable linear regression model to determine building energy needs. Starting from a detailed …