An efficient computer-aided structural elucidation strategy for mixtures using an iterative dynamic programming algorithm

Table 7 Number of structures identified by the branch and bound and IDPforCSCCP algorithm for the four different targeted MWs of C. chinensis with the given seed scaffolds

Targeted MWs	Number of identified structures (Brach and bound (N _k = 5), IDPforCSCCP)
Targeted MWs	Scaffold 1	Scaffold 2
286.24	(3, 4)	(149, 1936)
302.24	(12, 24)	(196, 1802)
354.31	(3, 29)	(300, 2006)
478.41	(18, 116)	(300, 1995)

Each cell contains two numbers. The first is the number of structures identified by the branch and bound method (N _k = 5), and the second is for the number of structures identified by the IDPforCSCCP algorithm without limitation of N _k

ISSN: 1758-2946