Dataset Information

Identifying antimicrobial peptides using word embedding with deep recurrent neural networks.

ABSTRACT: MOTIVATION:Antibiotic resistance constitutes a major public health crisis, and finding new sources of antimicrobial drugs is crucial to solving it. Bacteriocins, which are bacterially produced antimicrobial peptide products, are candidates for broadening the available choices of antimicrobials. However, the discovery of new bacteriocins by genomic mining is hampered by their sequences' low complexity and high variance, which frustrates sequence similarity-based searches. RESULTS:Here we use word embeddings of protein sequences to represent bacteriocins, and apply a word embedding method that accounts for amino acid order in protein sequences, to predict novel bacteriocins from protein sequences without using sequence similarity. Our method predicts, with a high probability, six yet unknown putative bacteriocins in Lactobacillus. Generalized, the representation of sequences with word embeddings preserving sequence order information can be applied to peptide and protein classification problems for which sequence similarity cannot be used. AVAILABILITY AND IMPLEMENTATION:Data and source code for this project are freely available at: https://github.com/nafizh/NeuBI. SUPPLEMENTARY INFORMATION:Supplementary data are available at Bioinformatics online.

SUBMITTER: Hamid MN

PROVIDER: S-EPMC6581433 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Identifying antimicrobial peptides using word embedding with deep recurrent neural networks.

Hamid Md-Nafiz MN Friedberg Iddo I

Bioinformatics (Oxford, England) 20190601 12

<h4>Motivation</h4>Antibiotic resistance constitutes a major public health crisis, and finding new sources of antimicrobial drugs is crucial to solving it. Bacteriocins, which are bacterially produced antimicrobial peptide products, are candidates for broadening the available choices of antimicrobials. However, the discovery of new bacteriocins by genomic mining is hampered by their sequences' low complexity and high variance, which frustrates sequence similarity-based searches.<h4>Results</h4>H ...[more]

PMID: 30418485

Similar Datasets

Project description:Early identification of individuals at risk of developing Alzheimer's disease (AD) dementia is important for developing disease-modifying therapies. In this study, given multimodal AD markers and clinical diagnosis of an individual from one or more timepoints, we seek to predict the clinical diagnosis, cognition and ventricular volume of the individual for every month (indefinitely) into the future. We proposed and applied a minimal recurrent neural network (minimalRNN) model to data from The Alzheimer's Disease Prediction Of Longitudinal Evolution (TADPOLE) challenge, comprising longitudinal data of 1677 participants (Marinescu et al., 2018) from the Alzheimer's Disease Neuroimaging Initiative (ADNI). We compared the performance of the minimalRNN model and four baseline algorithms up to 6 years into the future. Most previous work on predicting AD progression ignore the issue of missing data, which is a prevalent issue in longitudinal data. Here, we explored three different strategies to handle missing data. Two of the strategies treated the missing data as a "preprocessing" issue, by imputing the missing data using the previous timepoint ("forward filling") or linear interpolation ("linear filling). The third strategy utilized the minimalRNN model itself to fill in the missing data both during training and testing ("model filling"). Our analyses suggest that the minimalRNN with "model filling" compared favorably with baseline algorithms, including support vector machine/regression, linear state space (LSS) model, and long short-term memory (LSTM) model. Importantly, although the training procedure utilized longitudinal data, we found that the trained minimalRNN model exhibited similar performance, when using only 1 input timepoint or 4 input timepoints, suggesting that our approach might work well with just cross-sectional data. An earlier version of our approach was ranked 5th (out of 53 entries) in the TADPOLE challenge in 2019. The current approach is ranked 2nd out of 63 entries as of June 3rd, 2020.

Project description:Vegetation state is largely driven by climate and the complexity of involved processes leads to non-linear interactions over multiple time-scales. Recently, the role of temporally lagged dependencies, so-called memory effects, has been emphasized and studied using data-driven methods, relying on a vast amount of Earth observation and climate data. However, the employed models are often not able to represent the highly non-linear processes and do not represent time explicitly. Thus, data-driven study of vegetation dynamics demands new approaches that are able to model complex sequences. The success of Recurrent Neural Networks (RNNs) in other disciplines dealing with sequential data, such as Natural Language Processing, suggests adoption of this method for Earth system sciences. Here, we used a Long Short-Term Memory (LSTM) architecture to fit a global model for Normalized Difference Vegetation Index (NDVI), a proxy for vegetation state, by using climate time-series and static variables representing soil properties and land cover as predictor variables. Furthermore, a set of permutation experiments was performed with the objective to identify memory effects and to better understand the scales on which they act under different environmental conditions. This was done by comparing models that have limited access to temporal context, which was achieved through sequence permutation during model training. We performed a cross-validation with spatio-temporal blocking to deal with the auto-correlation present in the data and to increase the generalizability of the findings. With a full temporal model, global NDVI was predicted with R 2 of 0.943 and RMSE of 0.056. The temporal model explained 14% more variance than the non-memory model on global level. The strongest differences were found in arid and semiarid regions, where the improvement was up to 25%. Our results show that memory effects matter on global scale, with the strongest effects occurring in sub-tropical and transitional water-driven biomes.

Project description:The discovery and development of novel pharmaceuticals is an area of active research mainly due to the large investments required and long payback times. As of 2016, the development of a novel drug candidate required up to $ USD 2.6 billion in investment for only 10% rate of approval by the FDA. To help decreasing the costs associated with the process, a number of in silico approaches have been developed with relatively low success due to limited predicting performance. Here, we introduced a machine learning-based algorithm as an alternative for a more accurate search of new pharmacological candidates, which takes advantage of Recurrent Neural Networks (RNN) for active molecule prediction within large databases. Our approach, termed PharmaNet was implemented here to search for ligands against specific cell receptors within 102 targets of the DUD-E database, which contains 22886 active molecules. PharmaNet comprises three main phases. First, a SMILES representation of the molecule is converted into a raw molecular image. Second, a convolutional encoder processes the data to obtain a fingerprint molecular image that is finally analyzed by a Recurrent Neural Network (RNN). This approach enables precise predictions of the molecules' target on the basis of the feature extraction, the sequence analysis and the relevant information filtered out throughout the process. Molecule Target prediction is a highly unbalanced detection problem and therefore, we propose that an adequate evaluation metric of performance is the area under the Normalized Average Precision (NAP) curve. PharmaNet largely surpasses the previous state-of-the-art method with 97.7% in the Receiver Operating Characteristic curve (ROC-AUC) and 65.5% in the NAP curve. We obtained a perfect performance for human farnesyl pyrophosphate synthase (FPPS), which is a potential target for antimicrobial and anticancer treatments. We decided to test PharmaNet for activity prediction against FPPS by searching in the CHEMBL data set. We obtained three (3) potential inhibitors that were further validated through both molecular docking and in silico toxicity prediction. Most importantly, one of this candidates, CHEMBL2007613, was predicted as a potential antiviral due to its involvement on the PCDH17 pathway, which has been reported to be related to viral infections.

Dataset Information

Identifying antimicrobial peptides using word embedding with deep recurrent neural networks.

Publications

Identifying antimicrobial peptides using word embedding with deep recurrent neural networks.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets