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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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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1006/jmre.2002.2599openalex-snapshot
Using Neural Networks for 13C NMR Chemical Shift Prediction–Comparison with Traditional Methods
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New parameters for predicting 1H NMR chemical shifts of protons attached to carbon atoms
inferredcites →https://doi.org/10.1016/j.eurpolymj.2006.09.014openalex-snapshot
An approach to predict the 13C NMR chemical shifts of acrylonitrile copolymers using artificial neural network
inferredcites →https://doi.org/10.1016/j.tetlet.2004.07.082openalex-snapshot
Structure-based predictions of 1H NMR chemical shifts of sesquiterpene lactones using neural networks
inferredcites →https://doi.org/10.1016/s0003-2670(00)85105-3openalex-snapshot
A computer program for the prediction of 13-C-NMR chemical shifts of organic compounds
inferredcites →https://doi.org/10.1021/ci000021copenalex-snapshot
Fast Determination of 13 C NMR Chemical Shifts Using Artificial Neural Networks
inferredcites →https://doi.org/10.1021/ci00008a005openalex-snapshot
C13Shift: a computer program for the prediction of carbon-13 NMR spectra based on an open set of additivity rules
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A QSPR Study of the 31P NMR Chemical Shifts of Phosphines
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Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments
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Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?
inferredcites →https://doi.org/10.1021/ci950055yopenalex-snapshot
Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks
inferredcites →https://doi.org/10.1021/ci990061kopenalex-snapshot
Nonlinear Multivariate Regression Outperforms Several Concisely Designed Neural Networks on Three QSPR Data Sets
inferredcites →https://doi.org/10.1021/ja01069a005openalex-snapshot
Nuclear Magnetic Resonance Studies of Hydrogen Bonding. II. Calculation of the Shift upon Complex Formation
inferredcites →https://doi.org/10.1080/00401706.1987.10488304openalex-snapshot
Numerical Recipes: The Art of Scientific Computing
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