A standardized numbering system is elaborated upon for the efficient generation of input data for molecular computations on phospholipids and triglycerides. The advantages of such a comprehensive system in terms of the extraction of structural data and the increase in throughput allowing for the identification of the complete set of stable conformers are discussed.
- Molecular computations
- Numbering systems
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry