A deep learning model for predicting selected organic molecular spectra
Zihan Zou, Yujin Zhang, Lijun Liang, Mingzhi Wei, Jiancai Leng, Jun Jiang, Yi Luo, Wei Hu
Topics & Concepts
UltravioletSpectral lineRaman spectroscopyMolecular modelQuantum chemistryInfraredChemistryBiological systemComputational chemistryMaterials scienceComputer sciencePhysicsMoleculeOpticsStereochemistryQuantum mechanicsOrganic chemistrySupramolecular chemistryBiologyMachine Learning in Materials ScienceComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry Studies