Mühendislik Fakültesi / Faculty of Engineering

The tertiary structure of a protein indicates what vital function that protein fulfills in the cell. Prediction of the metal binding comformation of a protein from its sequence is a crucial step in predicting its tertiary structure. In this study, a computational method was developed for predicting the binding of Histidine and Cysteine to metals. We propose a deep convolutional neural network architecture, DeepMBS, to predict protein metal binding sites. To our knowledge, this study is the first realization of deep learning idea for the problem of predicting metal binding site. The method allows automatic extraction of complex interactions between important features using only sequence information by utilizing PAM120 scoring matrix. Features were extracted from protein sequences obtained from the Protein Data Bank and deep convolutional neural network was applied to these features. According to experimental results on a benchmark dataset, metal binding states can be predicted with 82% recall and 79% precision. These results show that a better performance can be achived with deep learning approach compared with previous studies on the same dataset.

Background and objective: Sepsis occurs in response to an infection in the body and can progress to a fatal stage. Detection and monitoring of sepsis require multi-step analysis, which is time-consuming, costly and requires medically trained personnel. A metric called Sequential Organ Failure Assessment (SOFA) score is used to determine the severity of sepsis. This score depends heavily on laboratory measurements. In this study, we offer a computational solution for quantitatively monitoring sepsis symptoms and organ systems state without laboratory test. To this end, we propose to employ a regression-based analysis by using only seven vital signs that can be acquired from bedside in Intensive Care Unit (ICU) to predict the exact value of SOFA score of patients before sepsis occurrence. Methods: A model called Deep SOFA-Sepsis Prediction Algorithm (DSPA) is introduced. In this model, we combined Convolutional Neural Networks (CNN) features with Random Forest (RF) algorithm to predict SOFA scores of sepsis patients. A subset of Medical Information Mart in Intensive Care (MIMIC) III dataset is used in experiments. 5154 samples are extracted as input. Ten-fold cross validation test are carried out for experiments. Results: We demonstrated that our model has achieved a Correlation Coefficient (CC) of 0.863, a Mean Absolute Error (MAE) of 0.659, a Root Mean Square Error (RMSE) of 1.23 for predictions at sepsis onset. The accuracies of SOFA score predictions for 6 hours before sepsis onset were 0.842, 0.697, and 1.308, in terms of CC, MAE and RMSE, respectively. Our model outperformed traditional machine learning and deep learning models in regression analysis. We also evaluated our model's prediction performance for identifying sepsis patients in a binary classification setup. Our model achieved up to 0.982 AUC (Area Under Curve) for sepsis onset and 0.972 AUC for 6 hours before sepsis, which are higher than those reported by previous studies. Conclusions: By utilizing SOFA scores, our framework facilitates the prognose of sepsis and infected organ systems state. While previous studies focused only on predicting presence of sepsis, our model aims at providing a prognosis solution for sepsis. SOFA score estimation process in ICU depends on laboratory environment. This dependence causes delays in treating patients, which in turn may increase the risk of complications. By using easily accessible non-invasive vital signs that are routinely collected in ICU, our framework can eliminate this delay. We believe that the estimation of the SOFA score will also help health professionals to monitor organ states. (C) 2020 Elsevier B.V. All rights reserved.

Mühendislik Fakültesi / Faculty of Engineering

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