ASMS22

I am delighted to present our project, “Prediction of Molecular Tandem Mass Spectra Using 3-Dimensional Conformers”, at ASMS 2022. The ongoing research papers have been accepted by Bioinformatics [1], and the associated code is now accessible to the public.

[1] Hong, Y., Li, S., Welch, C. J., Tichy, S., Ye, Y., & Tang, H. (2023). 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations. Bioinformatics, 39(6), btad354.

poster — Jun 8, 2022