bioRxiv · Bioinformatics· Melnik, A. V., Roberts, A. M. P., Semenov, A., Moradi, D., Coler, E. A., Goldstein, J., Ojha, B., Swift, N. J., Demirovic, S., Peczuh, M. W., Horvath, T. D., Engevik, M. A., Boginski, V., Aksenov, A. A. ·· 1 天前AI 评分64
DEEPNET-LLM 利用分子邻域从质谱预测未知代谢物结构
DEEPNET-LLM: Highly accurate structure prediction of unknown metabolites from mass spectra via their molecular neighborhoods
AI 导读
研究团队提出 DEEPNET-LLM，通过 Molecular Community Networking 将查询质谱的候选结构限定在全局代谢组的局部邻域，并用 AI 推理传播邻居结构信息。
来源：bioRxiv · Bioinformatics · biorxiv.org