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

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

Abstract The identification of chemical structures in natural product mixtures is an important task in drug discovery but is still a challenging problem, as structural elucidation is a time-consuming process and is limited by the available mass spectra of known natural products. Computer-aided struc...

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Bibliographic Details
Main Authors: Bo-Han Su, Meng-Yu Shen, Yeu-Chern Harn, San-Yuan Wang, Alioune Schurz, Chieh Lin, Olivia A. Lin, Yufeng J. Tseng
Format: Article
Language:English
Published: BMC 2017-11-01
Series:Journal of Cheminformatics
Subjects:
CASE
Natural products
Dynamic programming
Polynomial time
Online Access:http://link.springer.com/article/10.1186/s13321-017-0244-9

Internet

http://link.springer.com/article/10.1186/s13321-017-0244-9

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