scholarly journals Prediction of Drug-Target Interaction Using Random Forest in Coronavirus Disease 2019 Case

2021 ◽  
Vol 4 (1) ◽  
pp. 1-7
Author(s):  
Aulia Fadli ◽  
Annisa Annisa ◽  
Wisnu Ananta Kusuma
Keyword(s):  
Random Forest ◽  
Drug Target ◽  
Imbalanced Data ◽  
Drug Repurposing ◽  
Extraction Process ◽  
Random Forest Model ◽  
Target Interaction ◽  
Forest Model ◽  
Random Undersampling ◽  
Original Dataset

Coronavirus disease 2019 is an infectious disease that causes severe respiratory, digestive, and systemic infections that caused a pandemic in 2019. One of the focuses of the drug development process to fight the coronavirus disease 2019 is by carrying out drug repurposing. This study uses random forest with a feature-based chemogenomics approach on the drug-target interaction data of coronavirus disease 2019. The feature extraction process is carried out on compounds and protein using PubChem fingerprint and amino acid composition respectively. Feature selection using XGBoost is done to reduce the data dimension. The random undersampling process was also carried out to solve the problem of imbalanced data in the dataset. Using the cross-validation process, the random forest model produced an average accuracy value of 0.98, recall value of 0.92, precision value of 0.95, AUROC value of 0.95, and F1 score of 0.93. The random forest model also produced an accuracy value of 0.99, recall value of 0.93, the precision value of 0.94, AUROC value of 0.99, and F-measure of 0.94 when used to predict the original dataset (dataset without random undersampling process).  

scholarly journals DTI-SNNFRA: Drug-target interaction prediction by shared nearest neighbors and fuzzy-rough approximation

PLoS ONE ◽  
2021 ◽  
Vol 16 (2) ◽  
pp. e0246920
Author(s):  
Sk Mazharul Islam ◽  
Sk Md Mosaddek Hossain ◽  
Sumanta Ray
Keyword(s):  
Drug Discovery ◽  
Drug Target ◽  
Drug Repositioning ◽  
Geometric Mean ◽  
Imbalanced Data ◽  
Drug Repurposing ◽  
Search Space ◽  
Classification Model ◽  
Target Interaction ◽  
Rough Approximation

In-silico prediction of repurposable drugs is an effective drug discovery strategy that supplements de-nevo drug discovery from scratch. Reduced development time, less cost and absence of severe side effects are significant advantages of using drug repositioning. Most recent and most advanced artificial intelligence (AI) approaches have boosted drug repurposing in terms of throughput and accuracy enormously. However, with the growing number of drugs, targets and their massive interactions produce imbalanced data which may not be suitable as input to the classification model directly. Here, we have proposed DTI-SNNFRA, a framework for predicting drug-target interaction (DTI), based on shared nearest neighbour (SNN) and fuzzy-rough approximation (FRA). It uses sampling techniques to collectively reduce the vast search space covering the available drugs, targets and millions of interactions between them. DTI-SNNFRA operates in two stages: first, it uses SNN followed by a partitioning clustering for sampling the search space. Next, it computes the degree of fuzzy-rough approximations and proper degree threshold selection for the negative samples’ undersampling from all possible interaction pairs between drugs and targets obtained in the first stage. Finally, classification is performed using the positive and selected negative samples. We have evaluated the efficacy of DTI-SNNFRA using AUC (Area under ROC Curve), Geometric Mean, and F1 Score. The model performs exceptionally well with a high prediction score of 0.95 for ROC-AUC. The predicted drug-target interactions are validated through an existing drug-target database (Connectivity Map (Cmap)).

scholarly journals Clinical trial registries as Scientometric data: A novel solution for linking and deduplicating clinical trials from multiple registries

2021 ◽  
Author(s):  
Christian Thiele ◽  
Gerrit Hirschfeld ◽  
Ruth von Brachel
Keyword(s):  
Clinical Trials ◽  
Random Forest ◽  
Random Forest Model ◽  
Scientometric Analysis ◽  
Data Set ◽  
The Public ◽  
Forest Model ◽  
Clinical Trial Registries ◽  
Multiple Primary ◽  
Clinical Trials Registry

AbstractRegistries of clinical trials are a potential source for scientometric analysis of medical research and serve important functions for the research community and the public at large. Clinical trials that recruit patients in Germany are usually registered in the German Clinical Trials Register (DRKS) or in international registries such as ClinicalTrials.gov. Furthermore, the International Clinical Trials Registry Platform (ICTRP) aggregates trials from multiple primary registries. We queried the DRKS, ClinicalTrials.gov, and the ICTRP for trials with a recruiting location in Germany. Trials that were registered in multiple registries were linked using the primary and secondary identifiers and a Random Forest model based on various similarity metrics. We identified 35,912 trials that were conducted in Germany. The majority of the trials was registered in multiple databases. 32,106 trials were linked using primary IDs, 26 were linked using a Random Forest model, and 10,537 internal duplicates on ICTRP were identified using the Random Forest model after finding pairs with matching primary or secondary IDs. In cross-validation, the Random Forest increased the F1-score from 96.4% to 97.1% compared to a linkage based solely on secondary IDs on a manually labelled data set. 28% of all trials were registered in the German DRKS. 54% of the trials on ClinicalTrials.gov, 43% of the trials on the DRKS and 56% of the trials on the ICTRP were pre-registered. The ratio of pre-registered studies and the ratio of studies that are registered in the DRKS increased over time.

scholarly journals Multi-Scenario Prediction of Intra-Urban Land Use Change Using a Cellular Automata-Random Forest Model

2021 ◽  
Vol 10 (8) ◽  
pp. 503
Author(s):  
Hang Liu ◽  
Riken Homma ◽  
Qiang Liu ◽  
Congying Fang
Keyword(s):  
Land Use ◽  
Random Forest ◽  
Cellular Automata ◽  
Land Use Change ◽  
Urban Land ◽  
Urban Land Use ◽  
Random Forest Model ◽  
Growth Trend ◽  
Related Factors ◽  
Forest Model

The simulation of future land use can provide decision support for urban planners and decision makers, which is important for sustainable urban development. Using a cellular automata-random forest model, we considered two scenarios to predict intra-land use changes in Kumamoto City from 2018 to 2030: an unconstrained development scenario, and a planning-constrained development scenario that considers disaster-related factors. The random forest was used to calculate the transition probabilities and the importance of driving factors, and cellular automata were used for future land use prediction. The results show that disaster-related factors greatly influence land vacancy, while urban planning factors are more important for medium high-rise residential, commercial, and public facilities. Under the unconstrained development scenario, urban land use tends towards spatially disordered growth in the total amount of steady growth, with the largest increase in low-rise residential areas. Under the planning-constrained development scenario that considers disaster-related factors, the urban land area will continue to grow, albeit slowly and with a compact growth trend. This study provides planners with information on the relevant trends in different scenarios of land use change in Kumamoto City. Furthermore, it provides a reference for Kumamoto City’s future post-disaster recovery and reconstruction planning.

scholarly journals Estimates of daily ground-level NO2 concentrations in China based on Random Forest model integrated K-means

2021 ◽  
pp. 100017
Author(s):  
Xinyu Dou ◽  
Cuijuan Liao ◽  
Hengqi Wang ◽  
Ying Huang ◽  
Ying Tu ◽  
...  
Keyword(s):  
Random Forest ◽  
Ground Level ◽  
Random Forest Model ◽  
Forest Model

scholarly journals Identification of candidate biomarkers of liver hydatid disease via microarray profiling, bioinformatics analysis, and machine learning

2021 ◽  
Vol 49 (3) ◽  
pp. 030006052199398
Author(s):  
Jinwu Peng ◽  
Zhili Duan ◽  
Yamin Guo ◽  
Xiaona Li ◽  
Xiaoqin Luo ◽  
...  
Keyword(s):  
Random Forest ◽  
Hydatid Disease ◽  
Characteristic Curve ◽  
Receiver Operator Characteristic Curve ◽  
Random Forest Model ◽  
Hepatic Hydatid Disease ◽  
Forest Model ◽  
Protein Protein Interaction ◽  
Ppi Networks ◽  
Microarray Profiling

Objectives Liver echinococcosis is a severe zoonotic disease caused by Echinococcus (tapeworm) infection, which is epidemic in the Qinghai region of China. Here, we aimed to explore biomarkers and establish a predictive model for the diagnosis of liver echinococcosis. Methods Microarray profiling followed by Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analysis was performed in liver tissue from patients with liver hydatid disease and from healthy controls from the Qinghai region of China. A protein–protein interaction (PPI) network and random forest model were established to identify potential biomarkers and predict the occurrence of liver echinococcosis, respectively. Results Microarray profiling identified 1152 differentially expressed genes (DEGs), including 936 upregulated genes and 216 downregulated genes. Several previously unreported biological processes and signaling pathways were identified. The FCGR2B and CTLA4 proteins were identified by the PPI networks and random forest model. The random forest model based on FCGR2B and CTLA4 reliably predicted the occurrence of liver hydatid disease, with an area under the receiver operator characteristic curve of 0.921. Conclusion Our findings give new insight into gene expression in patients with liver echinococcosis from the Qinghai region of China, improving our understanding of hepatic hydatid disease.

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