Functional groups prediction from infrared spectra based on computer-assist approaches
Zhimeng Wang, Xiaoyu Feng, Junhong Liu, Min-Chun Lu, Menglong Li
Topics & Concepts
Support vector machineArtificial neural networkPattern recognition (psychology)Set (abstract data type)InfraredArtificial intelligenceComputer scienceFourier transformBiological systemInfrared spectroscopyFourier transform infrared spectroscopyTraining setVariety (cybernetics)Machine learningData miningAnalytical Chemistry (journal)ChemistryMathematicsEngineeringChromatographyBiologyOpticsPhysicsOrganic chemistryChemical engineeringProgramming languageMathematical analysisSpectroscopy and Chemometric AnalysesComputational Drug Discovery MethodsAdvanced Chemical Sensor Technologies