Published September 30, 2020
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Fig. 1 in BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds
Authors/Creators
- 1. ∗ & Department of Biotechnology, Yonsei University, Seoul, Republic of Korea & ∗ & Bioinformatics & Molecular Design Research Center, Incheon, Republic of Korea
Description
Fig. 1. Principal component analysis of molecular fingerprints between the 'natural product/for sale' subset of ZINC and BMDMS-NP. The graph describes that the structural diversity of BMDMS-NP is overlapped with that of ZINC. In order to compare intuitively, the ZINC points were randomly selected to be the same quantity as the BMDMS-NP points and the 95% confidence interval ellipses are added.
Notes
Published as part of Lee, Sangwon, Hwang, Sungbo, Seo, Myungwon, Shin, Ki Beom, Kim, Kwang Hoe, Park, Gun Wook, Kim, Jin Young, Yoo, Jong Shin & No, Kyoung Tai, 2020, BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds, pp. 1-8 in Phytochemistry (112427) 177 on page 4, DOI: 10.1016/j.phytochem.2020.112427, http://zenodo.org/record/8295963
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- Is part of
- Journal article: 10.1016/j.phytochem.2020.112427 (DOI)
- Journal article: urn:lsid:plazi.org:pub:FFA8FFEAFF96FFD2FFDF4633FFEDFFDF (LSID)
- Journal article: https://zenodo.org/record/8295963 (URL)