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Neural network approach to structural feature recognition from infrared spectra
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Simple encoding of infrared spectra for pattern recognition. 1: Statistical examination of the effectiveness and information content by factor analysis
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Simple encoding of infrared spectra for pattern recognition Part 2. Neural network approach using back-propagation and associative Hopfield memory
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Partial least squares regression as a multivariate tool for the interpretation of infrared spectra
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Fuzzy Logic in Computer-Aided Structure Elucidation**Present address: Sadtler Division BIO-RAD, 3316 Spring Garden Street, Philadelphia, PA 19104-2596.
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New system for computer-aided infrared and Raman spectrum interpretation
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A machine learning vibrational spectroscopy protocol for spectrum prediction and spectrum-based structure recognition
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Advantages of a hierarchical system of neural-networks for the interpretation of infrared spectra in structure determination
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Development of neural networks for identification of structural features from mass spectral data.
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Automatic classification of infrared spectra using a set of improved expert-based features
inferred← citeshttps://doi.org/10.1016/s0022-2860(99)00156-8openalex-snapshot
SCANKEE—computer system for interpretation of infrared spectra
inferred← citeshttps://doi.org/10.1016/s0097-8485(00)00096-6openalex-snapshot
Characteristic substructures in sets of organic compounds with similar infrared spectra
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Application of Multilayer Feed-Forward Neural Networks to Automated Compound Identification in Low-Resolution Open-Path FT-IR Spectrometry
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Encoding FT-IR Spectra in a Hopfield Network and Its Application to Compound Identification in Open-Path FT-IR Measurements
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Joint Neural Network Interpretation of Infrared and Mass Spectra
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13C NMR Chemical Shift Prediction of the sp3 Carbon Atoms in the α Position Relative to the Double Bond in Acyclic Alkenes
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Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra
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Neural Network Correction of PM3-Predicted Infrared Spectra
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Fuzzy Definition of Molecular Fragments in Chemical Structures
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Automatic Generation of Knowledge Base from Infrared Spectral Database for Substructure Recognition
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Automatic materials characterization from infrared spectra using convolutional neural networks
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Identification of Chemical Structures from Infrared Spectra by Using Neural Networks
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Identification of Modified Starches Using Infrared Spectroscopy and Artificial Neural Network Processing
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Computer Estimation of Chemical Structures from Infrared Spectra
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DeepSPInN - multimodal Deep learning for molecular Structure Prediction from Infrared and NMR spectra
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