DeepCarc: Deep Learning-Powered Carcinogenicity Prediction Using Model-Level Representation.
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ABSTRACT:
SUBMITTER: Li T
PROVIDER: S-EPMC8636933 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:We analyze LacI mutations with the goal to understand and better predict basal transcriptional repression function after mutation. This study utilized lac repressor variants from the Taylor, et al. 2015 Nature Methods study including ten tiles of synthesized single mutations (NCBI GEO Series GSE75009), and an additional six tiles corresponding to higher-order mutations (this study).
2021-06-22 | GSE175456 | GEO
Project description:MicroRNAs (miRNAs) are a kind of noncoding RNA, which plays an essential role in gene regulation by binding to messenger RNAs (mRNAs). Accurate and rapid identification of miRNA target genes is helpful to reveal the mechanism of transcriptome regulation, which is of great significance for the study of cancer and other diseases. Many bioinformatics methods have been proposed to solve this problem, but the previous research did not further study the encoding of the nucleotide sequence. In this paper, we developed a novel method combining word embedding and deep learning for human miRNA targets at the site-level prediction, which is inspired by the similarity between natural language and biological sequences. First, the word2vec model was used to mine the distribution representation of miRNAs and mRNAs. Then, the embedding is extracted automatically via the stacked bidirectional long short-term memory (BiLSTM) network. By testing, our method can effectively improve the accuracy, sensitivity, specificity, and F-measure of other methods. Through our research, it is proved that the distributed representation can improve the accuracy of the deep learning model and better solve the miRNA target site prediction problem.
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Project description:Abstract Motivation Use of multi-omics data carrying comprehensive signals about the disease is strongly desirable for understanding and predicting disease progression, cancer particularly as a serious disease with a high mortality rate. However, recent methods currently fail to effectively utilize the multi-omics data for cancer survival prediction and thus significantly limiting the accuracy of survival prediction using omics data. Results In this work, we constructed a deep learning model with multimodal representation and integration to predict the survival of patients using multi-omics data. We first developed an unsupervised learning part to extract high-level feature representations from omics data of different modalities. Then, we used an attention-based method to integrate feature representations, produced by the unsupervised learning part, into a single compact vector and finally we fed the vector into fully connected layers for survival prediction. We used multimodal data to train the model and predict pancancer survival, and the results show that using multimodal data can lead to higher prediction accuracy compared to using single modal data. Furthermore, we used the concordance index and the 5-fold cross-validation method for comparing our proposed method with current state-of-the-art methods and our results show that our model achieves better performance on the majority of cancer types in our testing datasets. Availability and implementation https://github.com/ZhangqiJiang07/MultimodalSurvivalPrediction. Supplementary information Supplementary data are available at Bioinformatics online.
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Project description:Yield prediction is of great significance for yield mapping, crop market planning, crop insurance, and harvest management. Remote sensing is becoming increasingly important in crop yield prediction. Based on remote sensing data, great progress has been made in this field by using machine learning, especially the Deep Learning (DL) method, including Convolutional Neural Network (CNN) or Long Short-Term Memory (LSTM). Recent experiments in this area suggested that CNN can explore more spatial features and LSTM has the ability to reveal phenological characteristics, which both play an important role in crop yield prediction. However, very few experiments combining these two models for crop yield prediction have been reported. In this paper, we propose a deep CNN-LSTM model for both end-of-season and in-season soybean yield prediction in CONUS at the county-level. The model was trained by crop growth variables and environment variables, which include weather data, MODIS Land Surface Temperature (LST) data, and MODIS Surface Reflectance (SR) data; historical soybean yield data were employed as labels. Based on the Google Earth Engine (GEE), all these training data were combined and transformed into histogram-based tensors for deep learning. The results of the experiment indicate that the prediction performance of the proposed CNN-LSTM model can outperform the pure CNN or LSTM model in both end-of-season and in-season. The proposed method shows great potential in improving the accuracy of yield prediction for other crops like corn, wheat, and potatoes at fine scales in the future.
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Project description:Recent progress in DNA synthesis and sequencing technology has enabled systematic studies of protein function at a massive scale. We explore a deep mutational scanning study that measured the transcriptional repression function of 43,669 variants of the Escherichia coli LacI protein. We analyze structural and evolutionary aspects that relate to how the function of this protein is maintained, including an in-depth look at the C-terminal domain. We develop a deep neural network to predict transcriptional repression mediated by the lac repressor of Escherichia coli using experimental measurements of variant function. When measured across 10 separate training and validation splits using 5,009 single mutations of the lac repressor, our best-performing model achieved a median Pearson correlation of 0.79, exceeding any previous model. We demonstrate that deep representation learning approaches, first trained in an unsupervised manner across millions of diverse proteins, can be fine-tuned in a supervised fashion using lac repressor experimental datasets to more effectively predict a variant's effect on repression. These findings suggest a deep representation learning model may improve the prediction of other important properties of proteins.
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Project description:Protein structure prediction is an important problem in bioinformatics and has been studied for decades. However, there are still few open-source comprehensive protein structure prediction packages publicly available in the field. In this paper, we present our latest open-source protein tertiary structure prediction system-MULTICOM2, an integration of template-based modeling (TBM) and template-free modeling (FM) methods. The template-based modeling uses sequence alignment tools with deep multiple sequence alignments to search for structural templates, which are much faster and more accurate than MULTICOM1. The template-free (ab initio or de novo) modeling uses the inter-residue distances predicted by DeepDist to reconstruct tertiary structure models without using any known structure as template. In the blind CASP14 experiment, the average TM-score of the models predicted by our server predictor based on the MULTICOM2 system is 0.720 for 58 TBM (regular) domains and 0.514 for 38 FM and FM/TBM (hard) domains, indicating that MULTICOM2 is capable of predicting good tertiary structures across the board. It can predict the correct fold for 76 CASP14 domains (95% regular domains and 55% hard domains) if only one prediction is made for a domain. The success rate is increased to 3% for both regular and hard domains if five predictions are made per domain. Moreover, the prediction accuracy of the pure template-free structure modeling method on both TBM and FM targets is very close to the combination of template-based and template-free modeling methods. This demonstrates that the distance-based template-free modeling method powered by deep learning can largely replace the traditional template-based modeling method even on TBM targets that TBM methods used to dominate and therefore provides a uniform structure modeling approach to any protein. Finally, on the 38 CASP14 FM and FM/TBM hard domains, MULTICOM2 server predictors (MULTICOM-HYBRID, MULTICOM-DEEP, MULTICOM-DIST) were ranked among the top 20 automated server predictors in the CASP14 experiment. After combining multiple predictors from the same research group as one entry, MULTICOM-HYBRID was ranked no. 5. The source code of MULTICOM2 is freely available at https://github.com/multicom-toolbox/multicom/tree/multicom_v2.0 .
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Project description:AimsThis study aims to assess whether information derived from the raw 12-lead electrocardiogram (ECG) combined with clinical information is predictive of atrial fibrillation (AF) development.Methods and resultsWe use a subset of the Telehealth Network of Minas Gerais (TNMG) database consisting of patients that had repeated 12-lead ECG measurements between 2010 and 2017 that is 1 130 404 recordings from 415 389 unique patients. Median and interquartile of age for the recordings were 58 (46-69) and 38% of the patients were males. Recordings were assigned to train-validation and test sets in an 80:20% split which was stratified by class, age and gender. A random forest classifier was trained to predict, for a given recording, the risk of AF development within 5 years. We use features obtained from different modalities, namely demographics, clinical information, engineered features, and features from deep representation learning. The best model performance on the test set was obtained for the model combining features from all modalities with an area under the receiver operating characteristic curve (AUROC) = 0.909 against the best single modality model which had an AUROC = 0.839.ConclusionOur study has important clinical implications for AF management. It is the first study integrating feature engineering, deep learning, and Electronic medical record system (EMR) metadata to create a risk prediction tool for the management of patients at risk of AF. The best model that includes features from all modalities demonstrates that human knowledge in electrophysiology combined with deep learning outperforms any single modality approach. The high performance obtained suggest that structural changes in the 12-lead ECG are associated with existing or impending AF.
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Project description:Human microbiota plays a key role in human health and growing evidence supports the potential use of microbiome as a predictor of various diseases. However, the high-dimensionality of microbiome data, often in the order of hundreds of thousands, yet low sample sizes, poses great challenge for machine learning-based prediction algorithms. This imbalance induces the data to be highly sparse, preventing from learning a better prediction model. Also, there has been little work on deep learning applications to microbiome data with a rigorous evaluation scheme. To address these challenges, we propose DeepMicro, a deep representation learning framework allowing for an effective representation of microbiome profiles. DeepMicro successfully transforms high-dimensional microbiome data into a robust low-dimensional representation using various autoencoders and applies machine learning classification algorithms on the learned representation. In disease prediction, DeepMicro outperforms the current best approaches based on the strain-level marker profile in five different datasets. In addition, by significantly reducing the dimensionality of the marker profile, DeepMicro accelerates the model training and hyperparameter optimization procedure with 8X-30X speedup over the basic approach. DeepMicro is freely available at https://github.com/minoh0201/DeepMicro.
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Project description:Many machine learning applications in bioinformatics currently rely on matching gene identities when analyzing input gene signatures and fail to take advantage of preexisting knowledge about gene functions. To further enable comparative analysis of OMICS datasets, including target deconvolution and mechanism of action studies, we develop an approach that represents gene signatures projected onto their biological functions, instead of their identities, similar to how the word2vec technique works in natural language processing. We develop the Functional Representation of Gene Signatures (FRoGS) approach by training a deep learning model and demonstrate that its application to the Broad Institute's L1000 datasets results in more effective compound-target predictions than models based on gene identities alone. By integrating additional pharmacological activity data sources, FRoGS significantly increases the number of high-quality compound-target predictions relative to existing approaches, many of which are supported by in silico and/or experimental evidence. These results underscore the general utility of FRoGS in machine learning-based bioinformatics applications. Prediction networks pre-equipped with the knowledge of gene functions may help uncover new relationships among gene signatures acquired by large-scale OMICs studies on compounds, cell types, disease models, and patient cohorts.
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Project description:A bitter taste often identifies hazardous compounds and it is generally avoided by most animals and humans. Bitterness of hydrolyzed proteins is caused by the presence of bitter peptides. To improve palatability, bitter peptides need to be identified experimentally in a time-consuming and expensive process, before they can be removed or degraded. Here, we report the development of a machine learning prediction method, iBitter-DRLF, which is based on a deep learning pre-trained neural network feature extraction method. It uses three sequence embedding techniques, soft symmetric alignment (SSA), unified representation (UniRep), and bidirectional long short-term memory (BiLSTM). These were initially combined into various machine learning algorithms to build several models. After optimization, the combined features of UniRep and BiLSTM were finally selected, and the model was built in combination with a light gradient boosting machine (LGBM). The results showed that the use of deep representation learning greatly improves the ability of the model to identify bitter peptides, achieving accurate prediction based on peptide sequence data alone. By helping to identify bitter peptides, iBitter-DRLF can help research into improving the palatability of peptide therapeutics and dietary supplements in the future. A webserver is available, too.
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