机译:Verification of the neural network training process for spectrum-based chemical substructure prediction using metamorphic testing
Missouri State Univ, Comp Sci Dept, Springfield, MO 65897 USA;
Missouri State Univ, Chem Dept, Springfield, MO 65897 USA;
Compound; Substructure; Fourier-transform infrared spectroscopy; Convolutional neural network; Metamorphic testing; Test oracle;