Current and future deep learning algorithms for tandem mass spectrometry (MS/MS)‐based small molecule structure elucidation - Liu, Youzhong; De Vijlder, Thomas; Bittremieux, Wout; Laukens, Kris; Heyndrickx, Wouter (Rapid communications in mass spectrometry, 2025)
Keywords: Artificial neural networks; Chemical fingerprinting; Coding; Deep learning; Graph theory; Machine learning; Mass spectrometry; Scientific imaging; Software; Spectra