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A comparative analysis of machine learning classifiers for predicting protein-binding nucleotides in RNA sequences.

ABSTRACT: RNA-protein interactions play vital roles in driving the cellular machineries. Despite significant involvement in several biological processes, the underlying molecular mechanism of RNA-protein interactions is still elusive. This may be due to the experimental difficulties in solving co-crystallized RNA-protein complexes. Inherent flexibility of RNA molecules to adopt different conformations makes them functionally diverse. Their interactions with protein have implications in RNA disease biology. Thus, study of binding interfaces can provide a mechanistic insight of the molecular functioning and aberrations caused due to altered interactions. Moreover, high-throughput sequencing technologies have generated huge sequence data compared to available structural data of RNA-protein complexes. In such a scenario, efficient computational algorithms are required for identification of protein-binding interfaces of RNA in the absence of known structures. We have investigated several machine learning classifiers and various features derived from nucleotide sequences to identify protein-binding nucleotides in RNA. We achieve best performance with nucleotide-triplet and nucleotide-quartet feature-based random forest models. An overall accuracy of 84.8%, sensitivity of 83.2%, specificity of 86.1%, MCC of 0.70 and AUC of 0.93 is achieved. We have further implemented the developed models in a user-friendly webserver "Nucpred", which is freely accessible at "http://www.csb.iitkgp.ac.in/applications/Nucpred/index".

SUBMITTER: Agarwal A

PROVIDER: S-EPMC9249596 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature

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A comparative analysis of machine learning classifiers for predicting protein-binding nucleotides in RNA sequences.

Agarwal Ankita A Singh Kunal K Kant Shri S Bahadur Ranjit Prasad RP

Computational and structural biotechnology journal 20220617

RNA-protein interactions play vital roles in driving the cellular machineries. Despite significant involvement in several biological processes, the underlying molecular mechanism of RNA-protein interactions is still elusive. This may be due to the experimental difficulties in solving co-crystallized RNA-protein complexes. Inherent flexibility of RNA molecules to adopt different conformations makes them functionally diverse. Their interactions with protein have implications in RNA disease biology ...[more]

PMID: 35832617

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Project description:ObjectivesRadiomics-based analyses encompass multiple steps, leading to ambiguity regarding the optimal approaches for enhancing model performance. This study compares the effect of several feature selection methods, machine learning (ML) classifiers, and sources of radiomic features, on models' performance for the diagnosis of clinically significant prostate cancer (csPCa) from bi-parametric MRI.MethodsTwo multi-centric datasets, with 465 and 204 patients each, were used to extract 1246 radiomic features per patient and MRI sequence. Ten feature selection methods, such as Boruta, mRMRe, ReliefF, recursive feature elimination (RFE), random forest (RF) variable importance, L1-lasso, etc., four ML classifiers, namely SVM, RF, LASSO, and boosted generalized linear model (GLM), and three sets of radiomics features, derived from T2w images, ADC maps, and their combination, were used to develop predictive models of csPCa. Their performance was evaluated in a nested cross-validation and externally, using seven performance metrics.ResultsIn total, 480 models were developed. In nested cross-validation, the best model combined Boruta with Boosted GLM (AUC = 0.71, F1 = 0.76). In external validation, the best model combined L1-lasso with boosted GLM (AUC = 0.71, F1 = 0.47). Overall, Boruta, RFE, L1-lasso, and RF variable importance were the top-performing feature selection methods, while the choice of ML classifier didn't significantly affect the results. The ADC-derived features showed the highest discriminatory power with T2w-derived features being less informative, while their combination did not lead to improved performance.ConclusionThe choice of feature selection method and the source of radiomic features have a profound effect on the models' performance for csPCa diagnosis.Critical relevance statementThis work may guide future radiomic research, paving the way for the development of more effective and reliable radiomic models; not only for advancing prostate cancer diagnostic strategies, but also for informing broader applications of radiomics in different medical contexts.Key pointsRadiomics is a growing field that can still be optimized. Feature selection method impacts radiomics models' performance more than ML algorithms. Best feature selection methods: RFE, LASSO, RF, and Boruta. ADC-derived radiomic features yield more robust models compared to T2w-derived radiomic features.

Dataset Information

A comparative analysis of machine learning classifiers for predicting protein-binding nucleotides in RNA sequences.

Publications

A comparative analysis of machine learning classifiers for predicting protein-binding nucleotides in RNA sequences.

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