Integration of LC/MS-based molecular networking and molecular docking allows in-depth annotation and prediction of the metabolome: A study of Salvia miltiorrhiza Bunge
Shiqi Wang, Yuekai Su, Jingyu Li, Yongping Lu, Xiangui Mei, Jianhua Wang
Topics & Concepts
MetabolomicsComputational biologyMetabolomeChemistrySalvia miltiorrhizaFragmentation (computing)BiologyChromatographyMedicineAlternative medicinePathologyTraditional Chinese medicineEcologyMetabolomics and Mass Spectrometry StudiesTraditional Chinese Medicine AnalysisPlant biochemistry and biosynthesis