scholarly journals MiPepid: MicroPeptide identification tool using machine learning

2019 ◽  
Author(s):  
Mengmeng Zhu ◽  
Michael Gribskov
Keyword(s):  
Machine Learning ◽  
Dna Sequences ◽  
Biological Activities ◽  
Prediction Methods ◽  
Sequence Information ◽  
Blind Test ◽  
Small Proteins ◽  
Bona Fide ◽  
Genome Scale ◽  
Coding Potential

Abstract Background Micropeptides are small proteins with a length <= 100 amino acids. They were traditionally ignored as few were discovered due to technical difficulties. In the past decade, a growing number of micropeptides have been shown to play significant roles in vital biological activities. Despite the increased amount of data, we still lack bioinformatics tools specifically for identifying micropeptides from DNA sequences. Indeed, most existing tools for classifying coding and noncoding ORFs were built on datasets in which “normal-sized” proteins are considered to be positives and short ORFs are generally considered to be noncoding. Since the functional and biophysical constraints on small peptides are likely to be different from those on “normal” proteins, methods for predicting short translated ORFs must be trained independently from those for longer proteins. Results In this study, we developed MiPepid, a machine-learning tool specifically for the identification of micropeptides. We trained MiPepid using carefully cleaned data from existing databases and logistic regression with 4-mer features. With only the sequence information of an ORF, MiPepid is able to predict whether it encodes a micropeptide with 96% accuracy on a blind dataset of high-confidence micropeptides, and to correctly classify newly discovered micropeptides not included in either the training or the blind test data. Compared with state-of-the-art coding potential prediction methods, MiPepid performs exceptionally well, as other methods incorrectly classify most bona fide micropeptides as noncoding. MiPepid is alignment-free and runs sufficiently fast for genome-scale analyses. It is easy to use and is available at https://github.com/MindAI/MiPepid. Conclusion MiPepid was developed to specifically predict micropeptides, a category of proteins with increasing significance, from DNA sequences. It shows evident advantages over existing coding potential prediction methods on micropeptide identification. It is ready to use and runs fast.

scholarly journals MiPepid: MicroPeptide identification tool using machine learning

2019 ◽  
Author(s):  
Mengmeng Zhu ◽  
Michael Gribskov
Keyword(s):  
Machine Learning ◽  
Dna Sequences ◽  
Biological Activities ◽  
Open Reading Frames ◽  
Prediction Methods ◽  
Sequence Information ◽  
Small Peptides ◽  
Blind Test ◽  
Small Proteins ◽  
Coding Potential

Abstract Background Micropeptides are small proteins with a length of <= 100 amino acids. Short open reading frames that could produces micropeptides were traditionally ignored due to technical difficulties, as few small peptides had been experimentally demonstrated. In the past decade, a growing number of micropeptides have been shown to play significant roles in vital biological activities. Despite the increased amount of data, we still lack bioinformatics tools for specifically identifying micropeptides from DNA sequences. Indeed, most existing tools for classifying coding and noncoding ORFs were built on datasets in which “normal-sized” proteins were considered to be positives and short ORFs were generally considered to be noncoding. Since the functional and biophysical constraints on small peptides are likely to be different from those on “normal” proteins, methods for predicting short translated ORFs must be trained independently from those for longer proteins.Results In this study, we have developed MiPepid, a machine-learning tool specifically for the identification of micropeptides. We trained MiPepid using carefully cleaned data from existing databases and used logistic regression with 4-mer features. With only the sequence information of an ORF, MiPepid is able to predict whether it encodes a micropeptide with 96% accuracy on a blind dataset of high-confidence micropeptides, and to correctly classify newly discovered micropeptides not included in either the training or the blind test data. Compared with state-of-the-art coding potential prediction methods, MiPepid performs exceptionally well, as other methods incorrectly classify most bona fide micropeptides as noncoding. MiPepid is alignment-free and runs sufficiently fast for genome-scale analyses. It is easy to use and is available at https://github.com/MindAI/MiPepid.Conclusions MiPepid was developed to specifically predict micropeptides, a category of proteins with increasing significance, from DNA sequences. It shows evident advantages over existing coding potential prediction methods on micropeptide identification. It is ready to use and runs fast. keywords: micropeptide, small ORF, sORF, smORF, coding, noncoding, lncRNA, machine learning

scholarly journals MiPepid: MicroPeptide identification tool using machine learning

2019 ◽  
Vol 20 (1) ◽  
Author(s):  
Mengmeng Zhu ◽  
Michael Gribskov
Keyword(s):  
Machine Learning ◽  
Dna Sequences ◽  
Biological Activities ◽  
Open Reading Frames ◽  
Prediction Methods ◽  
Sequence Information ◽  
Small Peptides ◽  
Blind Test ◽  
Small Proteins ◽  
Coding Potential

Abstract Background Micropeptides are small proteins with length < = 100 amino acids. Short open reading frames that could produces micropeptides were traditionally ignored due to technical difficulties, as few small peptides had been experimentally confirmed. In the past decade, a growing number of micropeptides have been shown to play significant roles in vital biological activities. Despite the increased amount of data, we still lack bioinformatics tools for specifically identifying micropeptides from DNA sequences. Indeed, most existing tools for classifying coding and noncoding ORFs were built on datasets in which “normal-sized” proteins were considered to be positives and short ORFs were generally considered to be noncoding. Since the functional and biophysical constraints on small peptides are likely to be different from those on “normal” proteins, methods for predicting short translated ORFs must be trained independently from those for longer proteins. Results In this study, we have developed MiPepid, a machine-learning tool specifically for the identification of micropeptides. We trained MiPepid using carefully cleaned data from existing databases and used logistic regression with 4-mer features. With only the sequence information of an ORF, MiPepid is able to predict whether it encodes a micropeptide with 96% accuracy on a blind dataset of high-confidence micropeptides, and to correctly classify newly discovered micropeptides not included in either the training or the blind test data. Compared with state-of-the-art coding potential prediction methods, MiPepid performs exceptionally well, as other methods incorrectly classify most bona fide micropeptides as noncoding. MiPepid is alignment-free and runs sufficiently fast for genome-scale analyses. It is easy to use and is available at https://github.com/MindAI/MiPepid. Conclusions MiPepid was developed to specifically predict micropeptides, a category of proteins with increasing significance, from DNA sequences. It shows evident advantages over existing coding potential prediction methods on micropeptide identification. It is ready to use and runs fast.

scholarly journals A novel artificial intelligence-based approach for identification of deoxynucleotide aptamers

2021 ◽  
Vol 17 (8) ◽  
pp. e1009247
Author(s):  
Frances L. Heredia ◽  
Abiel Roche-Lima ◽  
Elsie I. Parés-Matos
Keyword(s):  
Artificial Intelligence ◽  
Machine Learning ◽  
Support Vector Machines ◽  
Dna Binding ◽  
Dna Sequences ◽  
Support Vector ◽  
Sequence Information ◽  
Dna Aptamers ◽  
Vector Machines ◽  
Selection Of

The selection of a DNA aptamer through the Systematic Evolution of Ligands by EXponential enrichment (SELEX) method involves multiple binding steps, in which a target and a library of randomized DNA sequences are mixed for selection of a single, nucleotide-specific molecule. Usually, 10 to 20 steps are required for SELEX to be completed. Throughout this process it is necessary to discriminate between true DNA aptamers and unspecified DNA-binding sequences. Thus, a novel machine learning-based approach was developed to support and simplify the early steps of the SELEX process, to help discriminate binding between DNA aptamers from those unspecified targets of DNA-binding sequences. An Artificial Intelligence (AI) approach to identify aptamers were implemented based on Natural Language Processing (NLP) and Machine Learning (ML). NLP method (CountVectorizer) was used to extract information from the nucleotide sequences. Four ML algorithms (Logistic Regression, Decision Tree, Gaussian Naïve Bayes, Support Vector Machines) were trained using data from the NLP method along with sequence information. The best performing model was Support Vector Machines because it had the best ability to discriminate between positive and negative classes. In our model, an Accuracy (A) of 0.995, the fraction of samples that the model correctly classified, and an Area Under the Receiving Operating Curve (AUROC) of 0.998, the degree by which a model is capable of distinguishing between classes, were observed. The developed AI approach is useful to identify potential DNA aptamers to reduce the amount of rounds in a SELEX selection. This new approach could be applied in the design of DNA libraries and result in a more efficient and faster process for DNA aptamers to be chosen during SELEX.

scholarly journals Biological representation of chemicals using latent target interaction profile

2019 ◽  
Vol 20 (S24) ◽  
Author(s):  
Mohamed Ayed ◽  
Hansaim Lim ◽  
Lei Xie
Keyword(s):  
Machine Learning ◽  
Biological Activities ◽  
Learning Models ◽  
Target Interaction ◽  
Multi Scale ◽  
Chemical Structures ◽  
Chemical Fingerprints ◽  
Chemical Modulation ◽  
Genome Scale ◽  
Machine Learning Models

Abstract Background Computational prediction of a phenotypic response upon the chemical perturbation on a biological system plays an important role in drug discovery, and many other applications. Chemical fingerprints are a widely used feature to build machine learning models. However, the fingerprints that are derived from chemical structures ignore the biological context, thus, they suffer from several problems such as the activity cliff and curse of dimensionality. Fundamentally, the chemical modulation of biological activities is a multi-scale process. It is the genome-wide chemical-target interactions that modulate chemical phenotypic responses. Thus, the genome-scale chemical-target interaction profile will more directly correlate with in vitro and in vivo activities than the chemical structure. Nevertheless, the scope of direct application of the chemical-target interaction profile is limited due to the severe incompleteness, biasness, and noisiness of bioassay data. Results To address the aforementioned problems, we developed a novel chemical representation method: Latent Target Interaction Profile (LTIP). LTIP embeds chemicals into a low dimensional continuous latent space that represents genome-scale chemical-target interactions. Subsequently LTIP can be used as a feature to build machine learning models. Using the drug sensitivity of cancer cell lines as a benchmark, we have shown that the LTIP robustly outperforms chemical fingerprints regardless of machine learning algorithms. Moreover, the LTIP is complementary with the chemical fingerprints. It is possible for us to combine LTIP with other fingerprints to further improve the performance of bioactivity prediction. Conclusions Our results demonstrate the potential of LTIP in particular and multi-scale modeling in general in predictive modeling of chemical modulation of biological activities.

Protein Inter-Residue Contacts Prediction: Methods, Performances and Applications

2019 ◽  
Vol 14 (3) ◽  
pp. 178-189 ◽  
Author(s):  
Xiaoyang Jing ◽  
Qimin Dong ◽  
Ruqian Lu ◽  
Qiwen Dong
Keyword(s):  
Machine Learning ◽  
Protein Structure ◽  
Tertiary Structure ◽  
Prediction Methods ◽  
Learning Methods ◽  
Typical Application ◽  
Machine Learning Methods ◽  
Residue Contacts ◽  
Fusion Methods ◽  
Correlated Mutations

Background:Protein inter-residue contacts prediction play an important role in the field of protein structure and function research. As a low-dimensional representation of protein tertiary structure, protein inter-residue contacts could greatly help de novo protein structure prediction methods to reduce the conformational search space. Over the past two decades, various methods have been developed for protein inter-residue contacts prediction.Objective:We provide a comprehensive and systematic review of protein inter-residue contacts prediction methods.Results:Protein inter-residue contacts prediction methods are roughly classified into five categories: correlated mutations methods, machine-learning methods, fusion methods, templatebased methods and 3D model-based methods. In this paper, firstly we describe the common definition of protein inter-residue contacts and show the typical application of protein inter-residue contacts. Then, we present a comprehensive review of the three main categories for protein interresidue contacts prediction: correlated mutations methods, machine-learning methods and fusion methods. Besides, we analyze the constraints for each category. Furthermore, we compare several representative methods on the CASP11 dataset and discuss performances of these methods in detail.Conclusion:Correlated mutations methods achieve better performances for long-range contacts, while the machine-learning method performs well for short-range contacts. Fusion methods could take advantage of the machine-learning and correlated mutations methods. Employing more effective fusion strategy could be helpful to further improve the performances of fusion methods.

scholarly journals Integration of machine learning and genome-scale metabolic modeling identifies multi-omics biomarkers for radiation resistance

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Joshua E. Lewis ◽  
Melissa L. Kemp
Keyword(s):  
Machine Learning ◽  
Metabolic Flux ◽  
Metabolic Modeling ◽  
The Cancer Genome Atlas ◽  
Radiation Response ◽  
Metabolomics Data ◽  
Machine Learning Classifiers ◽  
Learning Classifiers ◽  
Metabolic Biomarkers ◽  
Genome Scale

AbstractResistance to ionizing radiation, a first-line therapy for many cancers, is a major clinical challenge. Personalized prediction of tumor radiosensitivity is not currently implemented clinically due to insufficient accuracy of existing machine learning classifiers. Despite the acknowledged role of tumor metabolism in radiation response, metabolomics data is rarely collected in large multi-omics initiatives such as The Cancer Genome Atlas (TCGA) and consequently omitted from algorithm development. In this study, we circumvent the paucity of personalized metabolomics information by characterizing 915 TCGA patient tumors with genome-scale metabolic Flux Balance Analysis models generated from transcriptomic and genomic datasets. Metabolic biomarkers differentiating radiation-sensitive and -resistant tumors are predicted and experimentally validated, enabling integration of metabolic features with other multi-omics datasets into ensemble-based machine learning classifiers for radiation response. These multi-omics classifiers show improved classification accuracy, identify clinical patient subgroups, and demonstrate the utility of personalized blood-based metabolic biomarkers for radiation sensitivity. The integration of machine learning with genome-scale metabolic modeling represents a significant methodological advancement for identifying prognostic metabolite biomarkers and predicting radiosensitivity for individual patients.

scholarly journals IIMLP: integrated information-entropy-based method for LncRNA prediction

2021 ◽  
Vol 22 (S3) ◽  
Author(s):  
Junyi Li ◽  
Huinian Li ◽  
Xiao Ye ◽  
Li Zhang ◽  
Qingzhe Xu ◽  
...  
Keyword(s):  
Machine Learning ◽  
Dna Sequences ◽  
Information Entropy ◽  
Area Under The Curve ◽  
Prediction Method ◽  
Machine Learning Algorithms ◽  
Reading Frame ◽  
Non Coding Rna ◽  
The One ◽  
Long Non Coding Rna

Abstract Background The prediction of long non-coding RNA (lncRNA) has attracted great attention from researchers, as more and more evidence indicate that various complex human diseases are closely related to lncRNAs. In the era of bio-med big data, in addition to the prediction of lncRNAs by biological experimental methods, many computational methods based on machine learning have been proposed to make better use of the sequence resources of lncRNAs. Results We developed the lncRNA prediction method by integrating information-entropy-based features and machine learning algorithms. We calculate generalized topological entropy and generate 6 novel features for lncRNA sequences. By employing these 6 features and other features such as open reading frame, we apply supporting vector machine, XGBoost and random forest algorithms to distinguish human lncRNAs. We compare our method with the one which has more K-mer features and results show that our method has higher area under the curve up to 99.7905%. Conclusions We develop an accurate and efficient method which has novel information entropy features to analyze and classify lncRNAs. Our method is also extendable for research on the other functional elements in DNA sequences.

scholarly journals Accurate estimation of isoelectric point of protein and peptide based on amino acid sequences

2015 ◽  
Vol 32 (6) ◽  
pp. 821-827 ◽  
Author(s):  
Enrique Audain ◽  
Yassel Ramos ◽  
Henning Hermjakob ◽  
Darren R. Flower ◽  
Yasset Perez-Riverol
Keyword(s):  
Machine Learning ◽  
Isoelectric Point ◽  
Learning Algorithms ◽  
Machine Learning Algorithms ◽  
Basis Set ◽  
Superior Performance ◽  
Supplementary Information ◽  
Training Dataset ◽  
Accurate Estimation ◽  
Prediction Methods

Abstract Motivation: In any macromolecular polyprotic system—for example protein, DNA or RNA—the isoelectric point—commonly referred to as the pI—can be defined as the point of singularity in a titration curve, corresponding to the solution pH value at which the net overall surface charge—and thus the electrophoretic mobility—of the ampholyte sums to zero. Different modern analytical biochemistry and proteomics methods depend on the isoelectric point as a principal feature for protein and peptide characterization. Protein separation by isoelectric point is a critical part of 2-D gel electrophoresis, a key precursor of proteomics, where discrete spots can be digested in-gel, and proteins subsequently identified by analytical mass spectrometry. Peptide fractionation according to their pI is also widely used in current proteomics sample preparation procedures previous to the LC-MS/MS analysis. Therefore accurate theoretical prediction of pI would expedite such analysis. While such pI calculation is widely used, it remains largely untested, motivating our efforts to benchmark pI prediction methods. Results: Using data from the database PIP-DB and one publically available dataset as our reference gold standard, we have undertaken the benchmarking of pI calculation methods. We find that methods vary in their accuracy and are highly sensitive to the choice of basis set. The machine-learning algorithms, especially the SVM-based algorithm, showed a superior performance when studying peptide mixtures. In general, learning-based pI prediction methods (such as Cofactor, SVM and Branca) require a large training dataset and their resulting performance will strongly depend of the quality of that data. In contrast with Iterative methods, machine-learning algorithms have the advantage of being able to add new features to improve the accuracy of prediction. Contact: [email protected] Availability and Implementation: The software and data are freely available at https://github.com/ypriverol/pIR. Supplementary information: Supplementary data are available at Bioinformatics online.

Machine Learning for Multiple Petrophysical Properties Regression Based on Core Images and Well Logs in a Heterogenous Reservoir

2021 ◽  
Author(s):  
Tao Lin ◽  
Mokhles Mezghani ◽  
Chicheng Xu ◽  
Weichang Li
Keyword(s):  
Machine Learning ◽  
Model Building ◽  
Image Features ◽  
Well Logs ◽  
Model Complexity ◽  
Rock Properties ◽  
Core Analysis ◽  
Petrophysical Properties ◽  
Blind Test ◽  
Porosity And Permeability

Abstract Reservoir characterization requires accurate prediction of multiple petrophysical properties such as bulk density (or acoustic impedance), porosity, and permeability. However, it remains a big challenge in heterogeneous reservoirs due to significant diagenetic impacts including dissolution, dolomitization, cementation, and fracturing. Most well logs lack the resolution to obtain rock properties in detail in a heterogenous formation. Therefore, it is pertinent to integrate core images into the prediction workflow. This study presents a new approach to solve the problem of obtaining the high-resolution multiple petrophysical properties, by combining machine learning (ML) algorithms and computer vision (CV) techniques. The methodology can be used to automate the process of core data analysis with a minimum number of plugs, thus reducing human effort and cost and improving accuracy. The workflow consists of conditioning and extracting features from core images, correlating well logs and core analysis with those features to build ML models, and applying the models on new cores for petrophysical properties predictions. The core images are preprocessed and analyzed using color models and texture recognition, to extract image characteristics and core textures. The image features are then aggregated into a profile in depth, resampled and aligned with well logs and core analysis. The ML regression models, including classification and regression trees (CART) and deep neural network (DNN), are trained and validated from the filtered training samples of relevant features and target petrophysical properties. The models are then tested on a blind test dataset to evaluate the prediction performance, to predict target petrophysical properties of grain density, porosity and permeability. The profile of histograms of each target property are computed to analyze the data distribution. The feature vectors are extracted from CV analysis of core images and gamma ray logs. The importance of each feature is generated by CART model to individual target, which may be used to reduce model complexity of future model building. The model performances are evaluated and compared on each target. We achieved reasonably good correlation and accuracy on the models, for example, porosity R2=49.7% and RMSE=2.4 p.u., and logarithmic permeability R2=57.8% and RMSE=0.53. The field case demonstrates that inclusion of core image attributes can improve petrophysical regression in heterogenous reservoirs. It can be extended to a multi-well setting to generate vertical distribution of petrophysical properties which can be integrated into reservoir modeling and characterization. Machine leaning algorithms can help automate the workflow and be flexible to be adjusted to take various inputs for prediction.

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