Links

Tools

Export citation

Search in Google Scholar

MOESM10 of MetFrag relaunched: incorporating strategies beyond in silico fragmentation

This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Question mark in circle
Preprint: policy unknown
Question mark in circle
Postprint: policy unknown
Question mark in circle
Published version: policy unknown

Abstract

Additional file 10. Top 1 ranks with PubChem (XlogP3) on the UFZ dataset The results were obtained with MetFrag2.2 formula query and the inclusion of patents, references and retention time. Each small dot shows the number of first ranks with a given combination of weights. The larger dots show the best result (165 in the top 1), 90 th percentile (159), median (156), 10 th percentile (112) and worst result (11).