MOESM2 of An efficient computer-aided structural elucidation strategy for mixtures using an iterative dynamic programming algorithm

Additional file 2. The source code of the IDPforCSCCP algorithm. The java source code of the IDPforCSCCP algorithm was provided in the file

MOESM1 of An efficient computer-aided structural elucidation strategy for mixtures using an iterative dynamic programming algorithm

Additional file 1. Proof of Lemma 1 to Theorem 6, Tables S1–S4, and a discussion for Table S4. The detailed proofs for Lemma 1, Lemma 2, Lemma 3, Lemma 4, Theorem 1, Lemma 5, Theorem 2, and Lemma 6 are given. Table S1 The identified structures that match the baseline data for O. japonicus. The last column indicates the ranks determined by our DP algorithm. Table S2 The identified structures that match the baseline data for P. multiflorum. The last column indicates the ranks determined by our DP algorithm. Table S3 The identified structures that match the baseline data for Angelica sp. The last column indicates the ranks determined by our DP algorithm. Table S4 Numbers of searched optimal solutions for C. chinensis. Each cell contains two numbers. The first number is that determined when the number of combinatorial candidates for the substituted positions is 5, and the second the value determined in the case without limitation