scholarly journals Comparison of partial least squares and artificial neural network chemometric techniques in determination of sulfamethoxazole and trimethoprim in pharmaceutical suspension by ATR–FTIR spectrometry

2011 ◽  
Vol 26 (2) ◽  
pp. 105-114 ◽  
Author(s):  
M. Khanmohammadi ◽  
N. Dallali ◽  
A. Bagheri Garmarudi ◽  
M. Zarnegar ◽  
K. Ghasemi
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Partial Least Square ◽  
Least Square ◽  
Statistical Parameters ◽  
Modified Method ◽  
Ftir Spectrometry ◽  
Artificial Neural ◽  
Artificial Neural Network Ann

Partial Least Square (PLS) and Artificial Neural Network (ANN) techniques were compared during development of an analytical method for quantitative determination of sulfamethoxazole (SMX) and trimethoprim (TMP) in Co-Trimoxazole®suspension. The procedure was based on Attenuated Total Reflectance Fourier Transform Infrared (ATR–FTIR) spectrometry. The 800–2500 cm−1spectral region was selected for quantitative analysis.R2and relative error of prediction (REP) in PLS technique were (0.989, 2.128) and (0.986, 1.381) for SMX and TMP, respectively. These statistical parameters were improved using the ANN models considering the complexity of the sample and the speediness and simplicity of the method.R2and RMSEC in modified method were (0.997, 1.064) and (0.997, 0.634) for SMX and TMP, respectively.

scholarly journals Artificial neural network and partial least square in predicting blood hemoglobin using near-infrared spectrum

2019 ◽  
Vol 16 (2) ◽  
pp. 701
Author(s):  
Mohd Nazrul Effendy Mohd Idrus ◽  
Kim Seng Chia
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Latent Variables ◽  
Near Infrared ◽  
Spectroscopic Analysis ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Artificial Neural ◽  
Artificial Neural Network Ann

<p>Predictive models is crucial in near-infrared (NIR) spectroscopic analysis. Partial least square - artificial neural network (PLS-ANN) is a hybrid method that may improve the performance of prediction in NIR spectroscopic analysis. This study investigates the advantage of PLS-ANN over the well-known modelling in spectroscopy analysis that is partial least square (PLS) and artificial neural network (ANN). The results show that ANN that coupled with first order SG derivatives achieved the best prediction with root mean square error of prediction (RMSEP) of 0.3517 gd/L and coefficient of determination ( ) of 0.9849 followed by PLS-ANN with RMSEP of 0.4368 gd/L and  of 0.9787, and PLS with RMSEP of 0.4669 gd/L and  of 0.9727. This suggests that the spectrum information may unable to be totally represented by the first few latent variables of PLS and a nonlinear model is crucial to model these nonlinear information in NIR spectroscopic analysis.</p>

scholarly journals Determination of the Factors Affecting King Abdul Aziz University Published Articles in ISI by Multilayer Perceptron Artificial Neural Network

Mathematics ◽  
2020 ◽  
Vol 8 (5) ◽  
pp. 766
Author(s):  
Rashad A. R. Bantan ◽  
Ramadan A. Zeineldin ◽  
Farrukh Jamal ◽  
Christophe Chesneau
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Multilayer Perceptron ◽  
Research Study ◽  
Real Data ◽  
Factors Affecting ◽  
King Abdulaziz University ◽  
Artificial Neural ◽  
Artificial Neural Network Ann

Deanship of scientific research established by the King Abdulaziz University provides some research programs for its staff and researchers and encourages them to submit proposals in this regard. Distinct research study (DRS) is one of these programs. It is available all the year and the King Abdulaziz University (KAU) staff can submit more than one proposal at the same time up to three proposals. The rules of the DSR program are simple and easy so it contributes in increasing the international rank of KAU. The authors are offered financial and moral reward after publishing articles from these proposals in Thomson-ISI journals. In this paper, multiplayer perceptron (MLP) artificial neural network (ANN) is employed to determine the factors that have more effect on the number of ISI published articles. The proposed study used real data of the finished projects from 2011 to April 2019.

QSPR MODELLING OF STABILITY CONSTANTS OF METAL-THIOSEMICARBAZONE COMPLEXES USING MULTIVARIATE REGRESSION METHODS AND ARTIFICIAL NEURAL NETWORK

2021 ◽  
Vol 36 (06) ◽  
Author(s):  
NGUYEN MINH QUANG ◽  
TRAN NGUYEN MINH AN ◽  
NGUYEN HOANG MINH ◽  
TRAN XUAN MAU ◽  
PHAM VAN TAT
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Stability Constants ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Structure Property ◽  
Least Square Regression ◽  
Thiosemicarbazone Complexes ◽  
Artificial Neural

In this study, the stability constants of metal-thiosemicarbazone complexes, logb11 were determined by using the quantitative structure property relationship (QSPR) models. The molecular descriptors, physicochemical and quantum descriptors of complexes were generated from molecular geometric structure and semi-empirical quantum calculation PM7 and PM7/sparkle. The QSPR models were built by using the ordinary least square regression (QSPROLS), partial least square regression (QSPRPLS), primary component regression (QSPRPCR) and artificial neural network (QSPRANN). The best linear model QSPROLS (with k of 9) involves descriptors C5, xp9, electric energy, cosmo volume, N4, SsssN, cosmo area, xp10 and core-core repulsion. The QSPRPLS, QSPR PCR and QSPRANN models were developed basing on 9 varibles of the QSPROLS model. The quality of the QSPR models were validated by the statistical values; The QSPROLS: R2train = 0.944, Q2LOO = 0.903 and MSE = 1.035; The QSPRPLS: R2train = 0.929, R2CV = 0.938 and MSE = 1.115; The QSPRPCR: R2train = 0.934, R2CV = 0.9485 and MSE = 1.147. The neural network model QSPRANN with architecture I(9)-HL(12)-O(1) was presented also with the statistical values: R2train = 0.9723, and R2CV = 0.9731. The QSPR models also were evaluated externally and got good performance results with those from the experimental literature.

scholarly journals Application of artificial neural network to predict properties of diesel-biodiesel blends

1970 ◽  
Vol 6 (2) ◽  
pp. 98-103 ◽  
Author(s):  
Jatinder Kumar ◽  
Ajay Bansal
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Linear Regression ◽  
Least Squares ◽  
Statistical Technique ◽  
Training Algorithms ◽  
Biodiesel Blends ◽  
Artificial Neural ◽  
Artificial Neural Network Ann

The experimental determination of various properties of diesel-biodiesel mixtures is very time consuming as well as tedious process. Any tool helpful in estimation of these properties without experimentation can be of immense utility. In present work, other tools of determination of properties of diesel-biodiesel blends were tried. A traditional statistical technique of linear regression (principle of least squares) was used to estimate the flash point, fire point, density and viscosity of diesel and biodiesel mixtures. A set of seven neural network architectures, three training algorithms along with ten different sets of weight and biases were examined to choose best Artificial Neural Network (ANN) to predict the above-mentioned properties of dieselbiodiesel mixtures. The performance of both of the traditional linear regression and ANN techniques were then compared to check their validity to predict the properties of various mixtures of diesel and biodiesel. Key words: Biodiesel; Artificial Neural Network; Principle of least squares; Diesel; Linear Regression. DOI: 10.3126/kuset.v6i2.4017Kathmandu University Journal of Science, Engineering and Technology Vol.6. No II, November, 2010, pp.98-103

Simultaneous Quantitative Analysis of Clorsulon and Ivermectin in a Veterinary Formulation by Artificial Neural Network

2008 ◽  
Vol 59 (10) ◽  
Author(s):  
Gozde Pektas ◽  
Erdal Dinc ◽  
Dumitru Baleanu
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Transfer Function ◽  
Back Propagation ◽  
Ann Model ◽  
Back Propagation Algorithm ◽  
Artificial Neural ◽  
Artificial Neural Network Ann ◽  
Hidden Layer

Simultaneaous spectrophotometric determination of clorsulon (CLO) and invermectin (IVE) in commercial veterinary formulation was performed by using the artificial neural network (ANN) based on the back propagation algorithm. In order to find the optimal ANN model various topogical networks were tested by using different hidden layers. A logsig input layer, a hidden layer of neurons using the logsig transfer function and an output layer of two neurons with purelin transfer function was found suitable for basic configuration for ANN model. A calibration set consisting of CLO and IVE in calibration set was prepared in the concentration range of 1-23 �g/mL and 1-14 �g/mL, repectively. This calibration set contains 36 different synthetic mixtures. A prediction set was prepared in order to evaluate the recovery of the investigated approach ANN chemometric calibration was applied to the simultaneous analysis of CLO and IVE in compounds in a commercial veterinary formulation. The experimental results indicate that the proposed method is appropriate for the routine quality control of the above mentioned active compounds.

scholarly journals Prediction of annual runoff using Artificial Neural Network and Regression approaches

MAUSAM ◽  
2021 ◽  
Vol 62 (1) ◽  
Author(s):  
N. VIVEKANANDAN
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Absolute Error ◽  
Annual Runoff ◽  
Rainfall Runoff ◽  
Statistical Parameters ◽  
Runoff Prediction ◽  
Model Efficiency ◽  
Artificial Neural ◽  
Artificial Neural Network Ann

Prediction of runoff is often important for optimal design of water storage and drainage works andmanagement of extreme events like floods and droughts. Rainfall-runoff (RR) models are considered to be most effectiveand expedient tool for runoff prediction. Number of models like stochastic, conceptual, deterministic, black-box, etc. iscommonly available for RR modelling. This paper details a study involving the use of Artificial Neural Network (ANN)and Regression (REG) approaches for prediction of runoff for Betwa and Chambal regions. Model performanceindicators such as model efficiency, correlation coefficient, root mean square error and root mean absolute error are usedto evaluate the performance of ANN and REG for runoff prediction. Statistical parameters are employed to find theaccuracy in prediction by ANN and REG for the data under study. The paper presents that ANN approach is found to besuitable for prediction of runoff for Betwa and Chambal regions.

Artificial neural network for quantitative and qualitative determination of the viscosity of nanofluids by ATR-FTIR spectrometry

2021 ◽  
Vol 118 ◽  
pp. 103900 ◽  
Author(s):  
Mahsa Mohammadi ◽  
Mohammadreza Khanmohammadi Khorrami ◽  
Hossein Ghasemzadeh ◽  
Peyman Noor ◽  
Shima Zandbaaf
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Ftir Spectrometry ◽  
Artificial Neural ◽  
Qualitative Determination
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