Alexander A Aksenov

DEEPNET-LLM predicts unknown metabolite structures from mass spectra by leveraging molecular neighborhoods, achieving high accuracy in de novo structure prediction.

HNSW-MS enables fast and accurate spectral search in large metabolomics repositories, allowing rapid integration of new spectra into global molecular networks.

This study identifies 4-hydroxyphenylacetic acid (4-HPAA) as a microbial metabolite that enhances interferon signaling and suppresses NF-κB inflammation, reducing alcohol-induced liver injury and lipid accumulation.