5 citations · 6 across the 3 of their papers we have counts for
3 papers
One Small Step with Fingerprints, One Giant Leap for De Novo Molecule Generation from Mass Spectra
Neng Kai Nigel Neo, Lim Jing, Ngoui Yong Zhau Preston +2
A common approach to the de novo molecular generation problem from mass spectra involves a two-stage pipeline: (1) encoding mass spectra into molecular fingerprints, followed by (2…
Towards Fair Graph Anomaly Detection: Problem, Benchmark Datasets, and Evaluation
Neng Kai Nigel Neo, Yeon-Chang Lee, Yiqiao Jin +2
The Fair Graph Anomaly Detection (FairGAD) problem aims to accurately detect anomalous nodes in an input graph while avoiding biased predictions against individuals from sensitive…
Chemical Structure Elucidation from Mass Spectrometry by Matching Substructures
Jing Lim, Joshua Wong, Minn Xuan Wong +4
Chemical structure elucidation is a serious bottleneck in analytical chemistry today. We address the problem of identifying an unknown chemical threat given its mass spectrum and i…