BioSMXpress was designed and developed as an enhancement to BioSM. BioSMXpress is, on average, 8 times faster than BioSM without compromising the quality of the predictions made. BioSMXpress will be an extremely useful tool in the timely identification of unknown biochemical structures in metabolomics.
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BMC Bioinformatics. 2015 Mar 18;16 Suppl 5:S11. doi: 10.1186/1471-2105-16-S5-S11.
A molecular structure matching approach to efficient identification of endogenous mammalian biochemical structures.
Hamdalla MA, Ammar RA, Rajasekaran S.