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Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing

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Carbon-13 magnetic resonance. XXV. Basic set of parameters for the investigation of tautomerism in purines established from carbon-13 magnetic resonance studies using certain purines and pyrrolo[2,3-d]pyrimidines

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Statistics using neural networks: chance effects

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Generalized Simulated Annealing for Function Optimization

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Conditioning of Quasi-Newton Methods for Function Minimization

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The Convergence of a Class of Double-rank Minimization Algorithms 1. General Considerations

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Chemometrics: Multivariate View on Chemical Problems

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NMR Data Correlation with Chemical Structure

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Structure–Spectrum Correlations and Computer‐Assisted Structure Elucidation

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Development of a fast and accurate method of 13C NMR chemical shift prediction

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Quantitative structure spectroscopy relationships of carbon-13 nuclear magnetic resonance chemical shifts of steroids

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Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation

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Application of multivariate image analysis in QSPR study of 13C chemical shifts of naphthalene derivatives: A comparative study

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Effective consideration of ring structures in CAST/CNMR for highly accurate 13C NMR chemical shift prediction

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Development of neural networks for identification of structural features from mass spectral data.

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CAST/CNMR: highly accurate 13C NMR chemical shift prediction system considering stereochemistry

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QSAR for dihydrofolate reductase inhibitors with molecular graph structural descriptors

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Structure validation in computer-supported structure elucidation: 13C NMR shift predictions for steroids

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Chemometrics

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Prediction of 1 H NMR Chemical Shifts Using Neural Networks

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Fast Determination of 13 C NMR Chemical Shifts Using Artificial Neural Networks

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Validation of Structural Proposals by Substructure Analysis and 13C NMR Chemical Shift Prediction

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Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks

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Toward More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches

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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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Evaluation in Quantitative Structure−Property Relationship Models of Structural Descriptors Derived from Information-Theory Operators

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Methods of NMR Spectrum Prediction and Structure Verification

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Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations

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Expert systems for structure elucidation of organic molecules by spectral methods

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Prediction of Programmed-temperature Retention Values of Naphthas by Artificial Neural Networks

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Estimation and prediction of 13C NMR chemical shifts of carbon atoms in both alcohols and thiols

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Analyse structurale automatique des petites molécules organiques

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