A new profiling approach for DNA sequences based on the nucleotides' physicochemical features for accurate analysis of SARS-CoV-2 genomes

BACKGROUND: The prevalence of the COVID-19 disease in recent years and its widespread impact on mortality, as well as various aspects of life around the world, has made it important to study this disease and its viral cause. However, very long sequences of this virus increase the processing time, complexity of calculation, and memory consumption required by the available tools to compare and analyze the sequences. RESULTS: We present a new encoding method, named PC-mer, based on the k-mer and physic-chemical properties of nucleotides. This method minimizes the size of encoded data by around 2( k) times compared to the classical k-mer based profiling method. Moreover, using PC-mer, we designed two tools: 1) a machine-learning-based classification tool for coronavirus family members with the ability to recive input sequences from the NCBI database, and 2) an alignment-free computational comparison tool for calculating dissimilarity scores between coronaviruses at the genus and species levels. CONCLUSIONS: PC-mer achieves 100% accuracy despite the use of very simple classification algorithms based on Machine Learning. Assuming dynamic programming-based pairwise alignment as the ground truth approach, we achieved a degree of convergence of more than 98% for coronavirus genus-level sequences and 93% for SARS-CoV-2 sequences using PC-mer in the alignment-free classification method. This outperformance of PC-mer suggests that it can serve as a replacement for alignment-based approaches in certain sequence analysis applications that rely on similarity/dissimilarity scores, such as searching sequences, comparing sequences, and certain types of phylogenetic analysis methods that are based on sequence comparison. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s12864-023-09373-7.