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1
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QSAR studies of 2-substituted 2,3-dihydro-1h-naphtho[1,8-de]-1,3,2-diazaphosphorine 2-oxides and sulphides

100%
Madhuritha A., Kumar B., Parthasarathy T., Uma V.
Open Chemistry
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2004
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vol. 2
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issue 4
696-702
EN
A quantitative structure activity relationship (QSAR) study of 2-substituted 2,3-dihydro-1H-naphtho[1,8,de]-1,3,2-diazaphosphorine 2-oxides and sulphides (DND), examines the extent of the contribution by various physicochemical parameters with respect to their antimicrobial activity. Simple bivariant regression analysis, based on the least squares method, is applied in order to predict models. The predicted models reveal that the steric factor, MR, is the major contributor influencing antimicrobial activity. Bulky groups at the C-19 (C=0 group) position positively influence the potency of the compounds
2
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Estimation of aerobic fitness among young men without exercise test

88%
Tanskanen M. M., Kyröläinen H., Santtila M., Tammelin T.
Biomedical Human Kinetics
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2015
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vol. 7
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issue 1
EN
Study aim: to develop and estimate the validity of non-exercise methods to predict VO2max among young male conscripts entering military service in order to divide them into the different physical training groups. Material and methods: fifty males (age 19.7 ± 0.3 years) reported their physical activity before military service by IPAQ and SIVAQ questionnaires. Furthermore, Jackson’s non-exercise method was used to estimate VO2max. Body mass and height were measured, body mass index calculated and VO2max measured directly in a maximal treadmill test. Subjects were randomly divided into two groups. The results of the Group 1 (N = 25) were used to develop a regression equation to estimate VO2max. The results of the Group 2 (N = 25) were used to evaluate the validity of the developed non-exercise methods and Jackson’s non-exercise methods to estimate VO2max by Bland and Altman plot. The validity was further evaluated by comparing the results to 12-minute running test performed by 877 male conscripts (age 19.6 ± 0.2 years). Results: the developed models explained 68–74% of the variation in VO2max. Mean difference between directly measured and estimated VO2max was not significant, while Jackson’s method overestimated VO2max (p < 0.001). Both developed models were equally valid to divide conscripts into tertile group of fitness. However, 5% of the conscripts were classified into the highest fitness group based on both methods, but they were actually in the lowest fitness group based on a running test. Conclusion: in practice, these findings suggest that developed methods can be used as a tool to divide conscripts into different fitness groups in the very beginning of their military service.
3
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Performance evaluation on selection of formwork systems in high rise buildings using regression analysis and their impacts on project success

88%
Rajeshkumar V., Sreevidya V., Rajeshkumar V., Sreevidya V.
Archives of Civil Engineering
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2019
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vol. 65
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issue 2
4
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Use of the TVDA Method to Assessment of EN AC-AlSi9Mg Alloy Hardness Moulded in Metal Moulds

88%
Pezda J.
Archives of Foundry Engineering
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2019
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vol. 19
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issue 1
5
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Prediction of the Mechanical Properties of Chrome-Nickel Austenitic Stainless Steels with Respect to their Chemical Composition

88%
Kaňa V., Záděra A., Maroš B., Blažík P., Čech J.
Archives of Foundry Engineering
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2018
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issue 1
6
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Reliability of protonation constants of vildagliptin dimers by the regression analysis of pH-titration data

88%
Meloun M., Ferenčíková Z., Niesnerová I., Pekárek T.
Open Chemistry
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2013
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vol. 11
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issue 7
1101-1111
EN
Protonation constants of protonated monomers and dimers of the vildagliptin are determined potentiometrically. For the low concentration c L = 3.3 mmol dm−3 the monomers L and LH dominate, while for a higher concentration c L = 6.3 mmol dm−3 the dimers L2H2, L2H3, L2H4 and L2H are mainly present. The algorithm used has little influence on the precision of the formation constants in comparison with the reproducibility of the titration. The mixed protonation constants of vildagliptin dimers Lq Hr at various temperatures are determined using FBSTAC4 and HYPERQUAD regression analysis of the potentiometric titration data. The accuracy of the protonation constants log10 βqr depends on the accuracy of the group parameters. As two group parameters L 0, H T are ill conditioned in a model, their determination is therefore uncertain; both can significantly cause a systematic error in the estimated common parameters log10 βqr . Using various regression diagnostics the goodness-of-fit proves the reliability of all parameter estimates. A rough estimation of thermodynamic enthalpies ΔH 0 (kJ mol−1) and entropies ΔS 0 (J K−1 mol−1) is determined from the temperature variation of protonation constants. The enthalpy shows the protonation process is exothermic, and the entropy indicates that it is spontaneous. [...]
7
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Oligomers-model building in protonation equilibria of sitagliptin

75%
Meloun M., Ferenčíková Z., Niesnerová I., Pekárek T.
Open Chemistry
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2013
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vol. 11
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issue 11
1799-1807
EN
Mixed protonation constants of sitagliptin phosphate at various ionic strengths I (mol kg−1) in range 0.01 and 0.50 and at 298.15 K are determined using FBSTAC4 and HYPERQUAD nonlinear regression analyses of the potentiometric titration curve. At a low concentration c L = 1.1 mmol kg−1 the monomers L, LH, LH2, LH3 and LH4 dominate, while for a concentration range from c L = 13.7 to 24.7 mmol kg−1 dimers L2H2, L2H3, L2H4 and L2H are mainly present. The regression programme has almost no influence on the precision of the protonation constants. The accuracy of the protonation constants log βqr depends on the accuracy of the group parameters. As two group parameters c L,0, c H,T are ill-conditioned in a model, their determination is therefore uncertain: both can significantly cause a systematic error in the estimated common parameters log10βqr . Fitness tests using regression diagnostics have proven the reliability of the parameter estimates. [...]
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