#ChemEmbed

2/ Our solution to reduce this problem: #ChemEmbed
We combine enhanced MS/MS spectra with continuous vector representations of molecular structures (300-dimensional embeddings aligned with Mol2vec representations). This gives our CNN-based model richer input, improving annotation accuracy.

🚀 New paper alert! 🚀
Happy to introduce #ChemEmbed, a deep learning framework for metabolite identification that enhances MS/MS data and leverages multidimensional molecular embeddings. A 🧵 on how it works and why it matters! ⬇️ #metabolomics #MachineLearning #DeepLearning