DeniMS preprint just dropped! 🏀 Honoring NBA All-Star Deni Avdija 🏀
We do 𝙙𝙚-𝙣𝘰𝘷𝘰 𝗜dentification of 𝗠ass 𝗦pectra by using a contrastive strategy to align tandem MS and molecules and guiding graph diffusion for prediction.
Preprint: doi.org/10.26434/chemr…
chemrxiv.org Aligning Mass Spectrometry with Molecular Representations for Guiding de novo Structure Prediction... Interpreting mass spectrometry (MS) data is challenging because reconstructing molecular structures from fragment patterns is an inherently ambiguous task, even for experienced analysts. Recent... We do 𝙙𝙚-𝙣𝘰𝘷𝘰 𝗜dentification of 𝗠ass 𝗦pectra by using a contrastive strategy to align tandem MS and molecules and guiding graph diffusion for prediction.
Preprint: doi.org/10.26434/chemr…
