Dataset Information

LAceP: lysine acetylation site prediction using logistic regression classifiers.

ABSTRACT:

Background

Lysine acetylation is a crucial type of protein post-translational modification, which is involved in many important cellular processes and serious diseases. However, identification of protein acetylated sites through traditional experiment methods is time-consuming and laborious. Those methods are not suitable to identify a large number of acetylated sites quickly. Therefore, computational methods are still very valuable to accelerate lysine acetylated site finding.

Result

In this study, many biological characteristics of acetylated sites have been investigated, such as the amino acid sequence around the acetylated sites, the physicochemical property of the amino acids and the transition probability of adjacent amino acids. A logistic regression method was then utilized to integrate these information for generating a novel lysine acetylation prediction system named LAceP. When compared with existing methods, LAceP overwhelms most of state-of-the-art methods. Especially, LAceP has a more balanced prediction capability for positive and negative datasets.

Conclusion

LAceP can integrate different biological features to predict lysine acetylation with high accuracy. An online web server is freely available at http://www.scbit.org/iPTM/.

SUBMITTER: Hou T

PROVIDER: S-EPMC3930742 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

LAceP: lysine acetylation site prediction using logistic regression classifiers.

Hou Ting T Zheng Guangyong G Zhang Pingyu P Jia Jia J Li Jing J Xie Lu L Wei Chaochun C Li Yixue Y

PloS one 20140220 2

<h4>Background</h4>Lysine acetylation is a crucial type of protein post-translational modification, which is involved in many important cellular processes and serious diseases. However, identification of protein acetylated sites through traditional experiment methods is time-consuming and laborious. Those methods are not suitable to identify a large number of acetylated sites quickly. Therefore, computational methods are still very valuable to accelerate lysine acetylated site finding.<h4>Result ...[more]

PMID: 24586884

Similar Datasets

Project description:ObjectiveTo predict preterm birth in nulliparous women using logistic regression and machine learning.DesignPopulation-based retrospective cohort.ParticipantsNulliparous women (N = 112,963) with a singleton gestation who gave birth between 20-42 weeks gestation in Ontario hospitals from April 1, 2012 to March 31, 2014.MethodsWe used data during the first and second trimesters to build logistic regression and machine learning models in a "training" sample to predict overall and spontaneous preterm birth. We assessed model performance using various measures of accuracy including sensitivity, specificity, positive predictive value, negative predictive value, and area under the receiver operating characteristic curve (AUC) in an independent "validation" sample.ResultsDuring the first trimester, logistic regression identified 13 variables associated with preterm birth, of which the strongest predictors were diabetes (Type I: adjusted odds ratio (AOR): 4.21; 95% confidence interval (CI): 3.23-5.42; Type II: AOR: 2.68; 95% CI: 2.05-3.46) and abnormal pregnancy-associated plasma protein A concentration (AOR: 2.04; 95% CI: 1.80-2.30). During the first trimester, the maximum AUC was 60% (95% CI: 58-62%) with artificial neural networks in the validation sample. During the second trimester, 17 variables were significantly associated with preterm birth, among which complications during pregnancy had the highest AOR (13.03; 95% CI: 12.21-13.90). During the second trimester, the AUC increased to 65% (95% CI: 63-66%) with artificial neural networks in the validation sample. Including complications during the pregnancy yielded an AUC of 80% (95% CI: 79-81%) with artificial neural networks. All models yielded 94-97% negative predictive values for spontaneous PTB during the first and second trimesters.ConclusionAlthough artificial neural networks provided slightly higher AUC than logistic regression, prediction of preterm birth in the first trimester remained elusive. However, including data from the second trimester improved prediction to a moderate level by both logistic regression and machine learning approaches.

Project description:BackgroundThe prediction of sites and products of metabolism in xenobiotic compounds is key to the development of new chemical entities, where screening potential metabolites for toxicity or unwanted side-effects is of crucial importance. In this work 2D topological fingerprints are used to encode atomic sites and three probabilistic machine learning methods are applied: Parzen-Rosenblatt Window (PRW), Naive Bayesian (NB) and a novel approach called RASCAL (Random Attribute Subsampling Classification ALgorithm). These are implemented by randomly subsampling descriptor space to alleviate the problem often suffered by data mining methods of having to exactly match fingerprints, and in the case of PRW by measuring a distance between feature vectors rather than exact matching. The classifiers have been implemented in CUDA/C++ to exploit the parallel architecture of graphical processing units (GPUs) and is freely available in a public repository.ResultsIt is shown that for PRW a SoM (Site of Metabolism) is identified in the top two predictions for 85%, 91% and 88% of the CYP 3A4, 2D6 and 2C9 data sets respectively, with RASCAL giving similar performance of 83%, 91% and 88%, respectively. These results put PRW and RASCAL performance ahead of NB which gave a much lower classification performance of 51%, 73% and 74%, respectively.Conclusions2D topological fingerprints calculated to a bond depth of 4-6 contain sufficient information to allow the identification of SoMs using classifiers based on relatively small data sets. Thus, the machine learning methods outlined in this paper are conceptually simpler and more efficient than other methods tested and the use of simple topological descriptors derived from 2D structure give results competitive with other approaches using more expensive quantum chemical descriptors. The descriptor space subsampling approach and ensemble methodology allow the methods to be applied to molecules more distant from the training data where data mining would be more likely to fail due to the lack of common fingerprints. The RASCAL algorithm is shown to give equivalent classification performance to PRW but at lower computational expense allowing it to be applied more efficiently in the ensemble scheme.

Dataset Information

LAceP: lysine acetylation site prediction using logistic regression classifiers.

Background

Result

Conclusion

Publications

LAceP: lysine acetylation site prediction using logistic regression classifiers.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets