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Parallelization of enumerating tree-like chemical compounds by breadth-first search order
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 bo...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4460618/ https://www.ncbi.nlm.nih.gov/pubmed/26044861 http://dx.doi.org/10.1186/1755-8794-8-S2-S15 |