title: Parallelization of enumerating tree-like chemical compounds by breadth-first search order.
abstract: Enumeration of chemical compounds greatly assists designing and finding new drugs, and determining chemical structures from mass spectrometry. In our previous study, we developed efficient algorithms, BfsSimEnum and BfsMulEnum for enumerating tree-like chemical compounds without and with multiple bonds, respectively. For many instances, our previously proposed algorithms were able to enumerate chemical structures faster than other existing methods.
authors.forename: Morihiro
authors.initials: M
authors.lastname: Hayashida
authors.forename: Jira
authors.initials: J
authors.lastname: Jindalertudomdee
authors.forename: Yang
authors.initials: Y
authors.lastname: Zhao
authors.forename: Tatsuya
authors.initials: T
authors.lastname: Akutsu
mesh_terms: D000465:Algorithms; D009930:Organic Chemicals / Q000737:chemistry*; D013997:Time Factors
chemical_list: D009930:Organic Chemicals