no code implementations • 17 Nov 2018 • Jing Lim, Joshua Wong, Minn Xuan Wong, Lee Han Eric Tan, Hai Leong Chieu, Davin Choo, Neng Kai Nigel Neo
We take a data driven approach to rank these structures by using neural networks to predict the presence of substructures given the mass spectrum, and matching these substructures to the candidate structures.
