scholarly journals Assessment of Drug Proarrhythmicity Using Artificial Neural Networks With in silico Deterministic Model Outputs

2021 ◽  
Vol 12 ◽  
Author(s):  
Yedam Yoo ◽  
Aroli Marcellinus ◽  
Da Un Jeong ◽  
Ki-Suk Kim ◽  
Ki Moo Lim
Keyword(s):  
Neural Networks ◽  
Artificial Neural Networks ◽  
High Risk ◽  
In Silico ◽  
Drug Toxicity ◽  
Risk Group ◽  
Low Risk ◽  
Intermediate Risk ◽  
Ann Model ◽  
Artificial Neural

As part of the Comprehensive in vitro Proarrhythmia Assay initiative, methodologies for predicting the occurrence of drug-induced torsade de pointes via computer simulations have been developed and verified recently. However, their predictive performance still requires improvement. Herein, we propose an artificial neural networks (ANN) model that uses nine multiple input features, considering the action potential morphology, calcium transient morphology, and charge features to further improve the performance of drug toxicity evaluation. The voltage clamp experimental data for 28 drugs were augmented to 2,000 data entries using an uncertainty quantification technique. By applying these data to the modified O’Hara Rudy in silico model, nine features (dVm/dtmax, APresting, APD90, APD50, Caresting, CaD90, CaD50, qNet, and qInward) were calculated. These nine features were used as inputs to an ANN model to classify drug toxicity into high-risk, intermediate-risk, and low-risk groups. The model was trained with data from 12 drugs and tested using the data of the remaining 16 drugs. The proposed ANN model demonstrated an AUC of 0.92 in the high-risk group, 0.83 in the intermediate-risk group, and 0.98 in the low-risk group. This was higher than the classification performance of the method proposed in previous studies.

scholarly journals Assessment of Drug Proarrhythmicity Using Artificial Neural Network with in Silico Deterministic Model Outputs

2021 ◽  
Author(s):  
Yedam Yoo ◽  
Aroli Marcellinus ◽  
Da Un Jeong ◽  
Ki-Suk Kim ◽  
Ki Moo Lim
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
High Risk ◽  
In Silico ◽  
Drug Toxicity ◽  
Risk Group ◽  
Torsade De Pointes ◽  
Low Risk ◽  
Ann Model ◽  
Artificial Neural

Abstract Methodologies for predicting the occurrence of torsade de pointes by drugs via computer simulations have been developed and verified recently, as part of the Comprehensive in vitro Proarrhythmia Assay initiative. However, the predictive performance still requires improvement. Herein, we propose a deep learning algorithm based on artificial neural networks that receives nine multiple features and ​considers the action potential morphology, calcium concentration morphology, and charge characteristics to further improve drug toxicity evaluation performance. The voltage clamp experimental data for 28 drugs were augmented to 2,000 data entries using an uncertainty quantification technique. By applying these data to the modified Ohara Rudy in silico model, nine features (dVm/dtmax, APresting, APD90, APD50, Caresting, CaD90, CaD50, qNet, and qInward) were predicted. These nine features were used as inputs to an artificial neural network (ANN) model to classify drug toxicity into high-risk, intermediate, and low-risk groups. The model was trained with data of 12 drugs and tested with the data of the remaining 16 drugs. The proposed ANN model demonstrated an AUC of 0.94 in the high-risk group, 0.73 in the intermediate group, and 0.91 in the low-risk group. This is higher than the classification performance of the method proposed in previous studies.

scholarly journals Predicting Sooting Propensity of Oxygenated Fuels Using Artificial Neural Networks

Processes ◽  
2021 ◽  
Vol 9 (6) ◽  
pp. 1070
Author(s):  
Abdul Gani Abdul Jameel
Keyword(s):  
Neural Networks ◽  
Artificial Neural Networks ◽  
Functional Groups ◽  
Average Error ◽  
Ann Model ◽  
Oh Groups ◽  
Unseen Data ◽  
Learning Capabilities ◽  
Artificial Neural ◽  
Oxygenated Fuels

The self-learning capabilities of artificial neural networks (ANNs) from large datasets have led to their deployment in the prediction of various physical and chemical phenomena. In the present work, an ANN model was developed to predict the yield sooting index (YSI) of oxygenated fuels using the functional group approach. A total of 265 pure compounds comprising six chemical classes, namely paraffins (n and iso), olefins, naphthenes, aromatics, alcohols, and ethers, were dis-assembled into eight constituent functional groups, namely paraffinic CH3 groups, paraffinic CH2 groups, paraffinic CH groups, olefinic –CH=CH2 groups, naphthenic CH-CH2 groups, aromatic C-CH groups, alcoholic OH groups, and ether O groups. These functional groups, in addition to molecular weight and branching index, were used as inputs to develop the ANN model. A neural network with two hidden layers was used to train the model using the Levenberg–Marquardt (ML) training algorithm. The developed model was tested with 15% of the random unseen data points. A regression coefficient (R2) of 0.99 was obtained when the experimental values were compared with the predicted YSI values from the test set. An average error of 3.4% was obtained, which is less than the experimental uncertainty associated with most reported YSI measurements. The developed model can be used for YSI prediction of hydrocarbon fuels containing alcohol and ether-based oxygenates as additives with a high degree of accuracy.

scholarly journals Modelling and Prediction of Monthly Global Irradiation Using Different Prediction Models

Energies ◽  
2021 ◽  
Vol 14 (8) ◽  
pp. 2332
Author(s):  
Cecilia Martinez-Castillo ◽  
Gonzalo Astray ◽  
Juan Carlos Mejuto
Keyword(s):  
Neural Networks ◽  
Artificial Neural Networks ◽  
Random Forests ◽  
Prediction Models ◽  
Meteorological Station ◽  
Ann Model ◽  
Global Irradiation ◽  
Artificial Neural ◽  
Input Variables ◽  
Using Data

Different prediction models (multiple linear regression, vector support machines, artificial neural networks and random forests) are applied to model the monthly global irradiation (MGI) from different input variables (latitude, longitude and altitude of meteorological station, month, average temperatures, among others) of different areas of Galicia (Spain). The models were trained, validated and queried using data from three stations, and each best model was checked in two independent stations. The results obtained confirmed that the best methodology is the ANN model which presents the lowest RMSE value in the validation and querying phases 1226 kJ/(m2∙day) and 1136 kJ/(m2∙day), respectively, and predict conveniently for independent stations, 2013 kJ/(m2∙day) and 2094 kJ/(m2∙day), respectively. Given the good results obtained, it is convenient to continue with the design of artificial neural networks applied to the analysis of monthly global irradiation.

scholarly journals Use of Nondestructive Testing of Ultrasound and Artificial Neural Networks to Estimate Compressive Strength of Concrete

Buildings ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 44
Author(s):  
Fernando A. N. Silva ◽  
João M. P. Q. Delgado ◽  
Rosely S. Cavalcanti ◽  
António C. Azevedo ◽  
Ana S. Guimarães ◽  
...  
Keyword(s):  
Neural Networks ◽  
Compressive Strength ◽  
Artificial Neural Networks ◽  
Cross Sections ◽  
Influential Factors ◽  
Average Error ◽  
Ann Model ◽  
Cement Ratio ◽  
Water Cement Ratio ◽  
Artificial Neural

The work presents the results of an experimental campaign carried out on concrete elements in order to investigate the potential of using artificial neural networks (ANNs) to estimate the compressive strength based on relevant parameters, such as the water–cement ratio, aggregate–cement ratio, age of testing, and percentage cement/metakaolin ratios (5% and 10%). We prepared 162 cylindrical concrete specimens with dimensions of 10 cm in diameter and 20 cm in height and 27 prismatic specimens with cross sections measuring 25 and 50 cm in length, with 9 different concrete mixture proportions. A longitudinal transducer with a frequency of 54 kHz was used to measure the ultrasonic velocities. An ANN model was developed, different ANN configurations were tested and compared to identify the best ANN model. Using this model, it was possible to assess the contribution of each input variable to the compressive strength of the tested concretes. The results indicate an excellent performance of the ANN model developed to predict compressive strength from the input parameters studied, with an average error less than 5%. Together, the water–cement ratio and the percentage of metakaolin were shown to be the most influential factors for the compressive strength value predicted by the developed ANN model.

scholarly journals SARS-CoV-2 Seroprevalence in Healthcare Workers in Germany: A Follow-Up Study

2021 ◽  
Vol 18 (9) ◽  
pp. 4540
Author(s):  
Johannes Korth ◽  
Benjamin Wilde ◽  
Sebastian Dolff ◽  
Jasmin Frisch ◽  
Michael Jahn ◽  
...  
Keyword(s):  
High Risk ◽  
Healthcare Workers ◽  
Risk Group ◽  
Close Contact ◽  
Virus Transmission ◽  
High Risk Group ◽  
Low Risk ◽  
University Hospital ◽  
Intermediate Risk ◽  
Igg Antibody

SARS-CoV-2 is a worldwide challenge for the medical sector. Healthcare workers (HCW) are a cohort vulnerable to SARS-CoV-2 infection due to frequent and close contact with COVID-19 patients. However, they are also well trained and equipped with protective gear. The SARS-CoV-2 IgG antibody status was assessed at three different time points in 450 HCW of the University Hospital Essen in Germany. HCW were stratified according to contact frequencies with COVID-19 patients in (I) a high-risk group with daily contacts with known COVID-19 patients (n = 338), (II) an intermediate-risk group with daily contacts with non-COVID-19 patients (n = 78), and (III) a low-risk group without patient contacts (n = 34). The overall seroprevalence increased from 2.2% in March–May to 4.0% in June–July to 5.1% in October–December. The SARS-CoV-2 IgG detection rate was not significantly different between the high-risk group (1.8%; 3.8%; 5.5%), the intermediate-risk group (5.1%; 6.3%; 6.1%), and the low-risk group (0%, 0%, 0%). The overall SARS-CoV-2 seroprevalence remained low in HCW in western Germany one year after the outbreak of COVID-19 in Germany, and hygiene standards seemed to be effective in preventing patient-to-staff virus transmission.

scholarly journals Characterization of a Mobile Waste-Robot: a Heuristic Method to Path Planning using Artificial Neural Networks

2019 ◽  
Vol 8 (4) ◽  
pp. 3902-3910
Keyword(s):  
Neural Networks ◽  
Artificial Neural Networks ◽  
Path Planning ◽  
Mobile Robotics ◽  
Heuristic Method ◽  
Correlation Coefficients ◽  
Path Tracking ◽  
Ann Model ◽  
Artificial Neural ◽  
Tracking Time

In the field of mobile robotics, path planning is one of the most widely-sought areas of interest due to its nature of complexity, where such issue is also practically evident in the case of mobile robots used for waste disposal purposes. To overcome issues on path planning, researchers have studied various classical and heuristic methods, however, the extent of optimization applicability and accuracy still remain an opportunity for further improvements. This paper presents the exploration of Artificial Neural Networks (ANN) in characterizing the path planning capability of a mobile waste-robot in order to improve navigational accuracy and path tracking time. The author utilized proximity and sound sensors as input vectors, dual H-bridge Direct Current (DC) motors as target vectors, and trained the ANN model using Levenberg-Marquardt (LM) and Scaled Conjugate (SCG) algorithms. Results revealed that LM was significantly more accurate than SCG algorithm in local path planning with Mean Square Error (MSE) values of 1.75966, 2.67946, and 2.04963, and Regression (R) values of 0.995671, 0.991247, and 0.983187 in training, testing, and validation environments, respectively. Furthermore, based on simulation results, LM was also found to be more accurate and faster than SCG with Pearson R correlation coefficients of rx=.975, nx=6, px=0.001 and ry=.987, ny=6, py=0.000 and path tracking time of 8.47s.

The Forecasting of Renewable Energy Generation for Turkey by Artificial Neural Networks and a Auto-Regressive Integrated Moving-Average Model -2023 Generation Targets by Renewable Energy Resources

2021 ◽  
Author(s):  
özlem karadag albayrak
Keyword(s):  
Neural Networks ◽  
Artificial Neural Networks ◽  
Renewable Energy ◽  
Moving Average ◽  
Renewable Energy Sources ◽  
Energy Generation ◽  
Energy Sources ◽  
Ann Model ◽  
Artificial Neural ◽  
Renewable Energy Generation

Abstract Turkey attaches particular importance to energy generation by renewable energy sources in order to remove negative economic, environmental and social effects caused by fossil resources in energy generation. Renewable energy sources are domestic and do not have any negative effect, such as external dependence in energy and greenhouse gas, caused by fossil resources and which constitute a threat for sustainable economic development. In this respect, the prediction of energy amount to be generated by Renewable Energy (RES) is highly important for Turkey. In this study, a generation forecasting was carried out by Artificial Neural Networks (ANN) and Autoregressive Integrated Moving Average (ARIMA) methods by utilising the renewable energy generation data between 1965-2019. While it was predicted by ANN that 127.516 TWh energy would be generated in 2023, this amount was estimated to be 45.457 TeraWatt Hour (TWh) by ARIMA (1.1.6) model. The Mean Absolute Percentage Error (MAPE) was calculated in order to specify the error margin of the forecasting models. This value was determined to be 13.1% by ANN model and 21.9% by ARIMA model. These results suggested that the ANN model provided a more accurate result. It is considered that the conclusions achieved in this study will be useful in energy planning and management.

Winter surface air temperature prediction over Japan using artificial neural networks

2021 ◽  
Author(s):  
J. V. Ratnam ◽  
Masami Nonaka ◽  
Swadhin K. Behera
Keyword(s):  
Neural Networks ◽  
Artificial Neural Networks ◽  
Air Temperature ◽  
Surface Air Temperature ◽  
Correlation Coefficients ◽  
Ann Model ◽  
Anomaly Correlation ◽  
The North ◽  
Skill Scores ◽  
Artificial Neural

AbstractThe machine learning technique, namely Artificial Neural Networks (ANN), is used to predict the surface air temperature (SAT) anomalies over Japan in the winter months of December, January and February for the period 1949/50 to 2019/20. The predictions are made for the four regions Hokkaido, North, Central and West of Japan. The inputs to the ANN model are derived from the anomaly correlation coefficients among the SAT anomalies over the regions of Japan and the global SAT and sea surface temperature anomalies. The results are validated using anomaly correlation coefficient (ACC) skill scores with the observation. It is found that the ANN predictions over Hokkaido have higher ACC skill scores compared to the ACC scores over the other three regions. The ANN predicted SAT anomalies are compared with that of ensemble mean of 8 of the North American Multi-Model Ensemble (NMME) models besides comparing them with the persistent anomalies. The ANN predictions over all the four regions have higher ACC skill scores compared to the NMME model skill scores in the common period of 1982/83 to 2018/19. The ANN predicted SAT anomalies also have higher Hit rate and lower False alarm rate compared to the NMME predicted SAT anomalies. All these indicate that the ANN model is a promising tool for predicting the winter SAT anomalies over Japan.

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