Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2018 Aug 30;10:45. doi: 10.1186/s13321-018-0299-2

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2018

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

PMC Copyright notice

Fig. 9 — MetFrag combined results (top) and results for the top 3 candidates retrieved with the MS-Ready search for C₇H₁₂ClN₅ (as displayed in the web interface). The score categories are (1st to 7th): MetFrag Fragmentation, Exact Spectral Similarity, Data Sources, Presence in NORMAN Priority list, Number of PubMed Articles, Presence in STOFF-IDENT, and Percent Active ToxCast Assays. Candidate merging was activated and the 10 forms of simazine have been merged into one result (with metadata from the highest scoring entry)

HHS Vulnerability Disclosure