Quantum mechanical electronic and geometric parameters for DNA k-mers as features for machine learning.

ABSTRACT: We are witnessing a steep increase in model development initiatives in genomics that employ high-end machine learning methodologies. Of particular interest are models that predict certain genomic characteristics based solely on DNA sequence. These models, however, treat the DNA as a mere collection of four, A, T, G and C, letters, dismissing the past advancements in science that can enable the use of more intricate information from nucleic acid sequences. Here, we provide a comprehensive database of quantum mechanical (QM) and geometric features for all the permutations of 7-meric DNA in their representative B, A and Z conformations. The database is generated by employing the applicable high-cost and time-consuming QM methodologies. This can thus make it seamless to associate a wealth of n

SUBMITTER: Masuda K 

PROVIDER: S-EPMC11341866 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature