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Simulation of infrared spectra: an infrared spectral simulation program (SIRS) which uses DARC topological substructures
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inferred← citeshttps://doi.org/10.1002/0470845015.cca054openalex-snapshot
Infrared Data Correlations with Chemical Structure
inferred← citeshttps://doi.org/10.1002/9783527618279.ch42bopenalex-snapshot
Correlations between Chemical Structure and Infrared Spectra
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Structure–Spectrum Correlations and Computer‐Assisted Structure Elucidation
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Automatic interpretation of chemical structure diagrams
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Modern Approaches to Chemical Image Recognition
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Complete sets of structure fragments for interpreting IR spectra using IR databases
inferred← citeshttps://doi.org/10.1007/bf02741597openalex-snapshot
Evaluation of the relationship between spectral and structural similarity in IR spectroscopy
inferred← citeshttps://doi.org/10.1007/bf02768818openalex-snapshot
Interpretation of IR spectra using complete sets of fragment compositions and an ir search system. 2. Determination of microfragment compositions of organic compounds
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A Cheminformatic Toolkit for Mining Biomedical Knowledge
inferred← citeshttps://doi.org/10.1016/0003-2670(96)00203-6openalex-snapshot
Simulation of infrared spectra using artificial neural networks based on semiempirical and empirical data
inferred← citeshttps://doi.org/10.1016/0022-2860(93)80097-fopenalex-snapshot
Neural nets for mass and vibrational spectra
inferred← citeshttps://doi.org/10.1016/j.chemolab.2006.08.010openalex-snapshot
New system for computer-aided infrared and Raman spectrum interpretation
inferred← citeshttps://doi.org/10.1016/s0003-2670(97)00229-8openalex-snapshot
Expert systems as a tool for the molecular structure elucidation by spectral methods. Strategies of solution to the problems
inferred← citeshttps://doi.org/10.1016/s0003-2670(97)00238-9openalex-snapshot
Computer-assisted IR spectra prediction — linked similarity searches for structures and spectra
inferred← citeshttps://doi.org/10.1016/s0003-2670(99)00347-5openalex-snapshot
Which IR search system is better for selection of unknown structure analogues?
inferred← citeshttps://doi.org/10.1016/s0003-2670(99)00846-6openalex-snapshot
Exhaustive set of non-isomorphic sub-graphs and its application to chemical structure elucidation using a IR spectroscopy database
inferred← citeshttps://doi.org/10.1021/ac9611071openalex-snapshot
Infrared Spectra Simulation of Substituted Benzene Derivatives on the Basis of a 3D Structure Representation
inferred← citeshttps://doi.org/10.1021/ci010010zopenalex-snapshot
SIRS-SS: A System for Simulating IR/Raman Spectra. 1. Substructure/Subspectrum Correlation
inferred← citeshttps://doi.org/10.1021/ci5002197openalex-snapshot
Markov Logic Networks for Optical Chemical Structure Recognition
inferred← citeshttps://doi.org/10.1021/ci950164copenalex-snapshot
The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity
inferred← citeshttps://doi.org/10.1021/ci9600364openalex-snapshot
Handling Genericity in Chemical Structures Using the Markush Darc Software
inferred← citeshttps://doi.org/10.1021/ci9902705openalex-snapshot
Fuzzy Definition of Molecular Fragments in Chemical Structures
inferred← citeshttps://doi.org/10.1023/a:1010511201206openalex-snapshot
Computer-Assisted Verification of Agreement Between IR Spectrum and Hypothetical Chemical Structure
inferred← citeshttps://doi.org/10.1039/d1sc02957fopenalex-snapshot
ChemPix: automated recognition of hand-drawn hydrocarbon structures using deep learning
inferred← citeshttps://doi.org/10.1070/rc1999v068n07abeh000516openalex-snapshot
Expert systems for structure elucidation of organic molecules by spectral methods
inferred← citeshttps://doi.org/10.1109/dtpi52967.2021.9540084openalex-snapshot
Solving Organic Chemistry Problems Described with Text and Chemical Structure Figure
inferred← citeshttps://doi.org/10.1109/icdar.1993.395658openalex-snapshot
Optical recognition of chemical graphics
inferred← citeshttps://doi.org/10.1186/s13321-020-00465-0openalex-snapshot
A review of optical chemical structure recognition tools
inferred← citeshttps://doi.org/10.1186/s13321-020-00469-wopenalex-snapshot
DECIMER: towards deep learning for chemical image recognition
inferred← citeshttps://doi.org/10.1366/000370203321558182openalex-snapshot
Fourier Transform Infrared Attenuated Total Reflection and Transmission Spectra Studied by Dispersion Analysis
inferred← citeshttps://doi.org/10.5194/amt-12-525-2019openalex-snapshot
Atmospheric particulate matter characterization by Fourier transform infrared spectroscopy: a review of statistical calibration strategies for carbonaceous aerosol quantification in US measurement networks
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