نسخة أولية وصول مفتوح
Explainable Molecular Structure Inference from GC--MS with Diffusion Models and LLM Reranking
GC--EI--MS is an important technique for analyzing volatile and semivolatile compounds in complex samples. However, conventional methods rely heavily on reference spectral library matching, limiting their ability to identify compounds absent from these libraries and to infer complete molecular structures directly from …