SPLASH, a hashed identifier for mass spectra.

Gert WohlgemuthSajjan S MehtaRamon F MejiaSteffen NeumannDiego PedrosaTomáš Pluskal Emma L Schymanski Egon L WilighagenMichael WilsonDavid S WishartMasanori AritaPieter C DorresteinNuno BandeiraMingxun WangTobias SchulzeReza M SalekChristoph SteinbeckVenkata Chandrasekhar NainalaRobert MistrikTakaaki NishiokaOliver Fiehn

Published in: Nature biotechnology (2019)

Keyphrases

density functional theory
molecular dynamics