Clustering biological sequences with dynamic sequence similarity threshold

Abstract Background Biological sequence clustering is a complicated data clustering problem owing to the high computation costs incurred for pairwise sequence distance calculations through sequence alignments, as well as difficulties in determining parameters for deriving robust clusters. While curr...

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Main Authors: Jimmy Ka Ho Chiu, Rick Twee-Hee Ong
Format: Article
Language:English
Published: BMC 2022-03-01
Series:BMC Bioinformatics
Subjects:
Online Access:https://doi.org/10.1186/s12859-022-04643-9
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author Jimmy Ka Ho Chiu
Rick Twee-Hee Ong
author_facet Jimmy Ka Ho Chiu
Rick Twee-Hee Ong
author_sort Jimmy Ka Ho Chiu
collection DOAJ
description Abstract Background Biological sequence clustering is a complicated data clustering problem owing to the high computation costs incurred for pairwise sequence distance calculations through sequence alignments, as well as difficulties in determining parameters for deriving robust clusters. While current approaches are successful in reducing the number of sequence alignments performed, the generated clusters are based on a single sequence identity threshold applied to every cluster. Poor choices of this identity threshold would thus lead to low quality clusters. There is however little support provided to users in selecting thresholds that are well matched with the input sequences. Results We present a novel sequence clustering approach called ALFATClust that exploits rapid pairwise alignment-free sequence distance calculations and community detection in graph for clusters generation. Instead of a single threshold applied to every generated cluster, ALFATClust is capable of dynamically determining the cut-off threshold for each individual cluster by considering both cluster separation and intra-cluster sequence similarity. Benchmarking analysis shows that ALFATClust generally outperforms existing approaches by simultaneously maintaining cluster robustness and substantial cluster separation for the benchmark datasets. The software also provides an evaluation report for verifying the quality of the non-singleton clusters obtained. Conclusions ALFATClust is able to generate sequence clusters having high intra-cluster sequence similarity and substantial separation between clusters without having users to decide precise similarity cut-off thresholds.
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spelling doaj.art-5d98cbec090d4d1aba0275437470eca72022-12-21T21:10:47ZengBMCBMC Bioinformatics1471-21052022-03-0123112010.1186/s12859-022-04643-9Clustering biological sequences with dynamic sequence similarity thresholdJimmy Ka Ho Chiu0Rick Twee-Hee Ong1Saw Swee Hock School of Public Health, National University of Singapore and National University Health SystemSaw Swee Hock School of Public Health, National University of Singapore and National University Health SystemAbstract Background Biological sequence clustering is a complicated data clustering problem owing to the high computation costs incurred for pairwise sequence distance calculations through sequence alignments, as well as difficulties in determining parameters for deriving robust clusters. While current approaches are successful in reducing the number of sequence alignments performed, the generated clusters are based on a single sequence identity threshold applied to every cluster. Poor choices of this identity threshold would thus lead to low quality clusters. There is however little support provided to users in selecting thresholds that are well matched with the input sequences. Results We present a novel sequence clustering approach called ALFATClust that exploits rapid pairwise alignment-free sequence distance calculations and community detection in graph for clusters generation. Instead of a single threshold applied to every generated cluster, ALFATClust is capable of dynamically determining the cut-off threshold for each individual cluster by considering both cluster separation and intra-cluster sequence similarity. Benchmarking analysis shows that ALFATClust generally outperforms existing approaches by simultaneously maintaining cluster robustness and substantial cluster separation for the benchmark datasets. The software also provides an evaluation report for verifying the quality of the non-singleton clusters obtained. Conclusions ALFATClust is able to generate sequence clusters having high intra-cluster sequence similarity and substantial separation between clusters without having users to decide precise similarity cut-off thresholds.https://doi.org/10.1186/s12859-022-04643-9Sequence clusteringGraph clusteringHomologous sequencesMetagenomics
spellingShingle Jimmy Ka Ho Chiu
Rick Twee-Hee Ong
Clustering biological sequences with dynamic sequence similarity threshold
BMC Bioinformatics
Sequence clustering
Graph clustering
Homologous sequences
Metagenomics
title Clustering biological sequences with dynamic sequence similarity threshold
title_full Clustering biological sequences with dynamic sequence similarity threshold
title_fullStr Clustering biological sequences with dynamic sequence similarity threshold
title_full_unstemmed Clustering biological sequences with dynamic sequence similarity threshold
title_short Clustering biological sequences with dynamic sequence similarity threshold
title_sort clustering biological sequences with dynamic sequence similarity threshold
topic Sequence clustering
Graph clustering
Homologous sequences
Metagenomics
url https://doi.org/10.1186/s12859-022-04643-9
work_keys_str_mv AT jimmykahochiu clusteringbiologicalsequenceswithdynamicsequencesimilaritythreshold
AT ricktweeheeong clusteringbiologicalsequenceswithdynamicsequencesimilaritythreshold