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Autocorrelation Method Adapted To Generate New Atomic Environments: Application for the Prediction of 13-C Chemical Shifts of Alkanes

https://doi.org/10.1021/ci000159v
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What this work says

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

inferredcites →https://doi.org/10.1007/bf01192574openalex-snapshot
An application of neural networks in chemistry. Prediction of13C NMR chemical shifts
inferredcites →https://doi.org/10.1016/0584-8539(89)80139-4openalex-snapshot
Carbon-13nmr spectroscopy
inferredcites →https://doi.org/10.1016/s0097-8485(97)00019-3openalex-snapshot
13C NMR chemical shift sum prediction for alkanes using neural networks
inferredcites →https://doi.org/10.1021/ac60304a002openalex-snapshot
Carbon-13 nuclear magnetic resonance spectrometry. Chemical shifts for the paraffins through C9
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/ci00013a007openalex-snapshot
Neural networks and carbon-13 NMR shift prediction
inferredcites →https://doi.org/10.1021/ci00027a021openalex-snapshot
Neural Network Prediction of Carbon-13 NMR Chemical Shifts of Alkanes
inferredcites →https://doi.org/10.1021/ci00045a006openalex-snapshot
Structural selectivity of topological indexes in alkane series
inferredcites →https://doi.org/10.1021/ci00057a006openalex-snapshot
CHEMTEXT
inferredcites →https://doi.org/10.1021/cr00024a001openalex-snapshot
Feed-forward neural networks in chemistry: mathematical systems for classification and pattern recognition
inferredcites →https://doi.org/10.1021/jm00061a023openalex-snapshot
Statistics using neural networks: chance effects

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
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Prediction of solubility of aliphatic alcohols using the restricted components of autocorrelation method (RCAM)
inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.01.008openalex-snapshot
Prediction of carbon-13 NMR chemical shift of alkanes with rooted path vector
inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.09.011openalex-snapshot
Quantitative structure spectroscopy relationships of carbon-13 nuclear magnetic resonance chemical shifts of steroids
inferred← citeshttps://doi.org/10.1016/j.molstruc.2008.03.010openalex-snapshot
Simulation of 13C nuclear magnetic resonance spectra for isodon terpenoid
inferred← citeshttps://doi.org/10.1016/s0169-7439(03)00057-1openalex-snapshot
Structure validation in computer-supported structure elucidation: 13C NMR shift predictions for steroids
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00537openalex-snapshot
Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory
inferred← citeshttps://doi.org/10.1063/1.1630951openalex-snapshot
Combined first-principles calculation and neural-network correction approach for heat of formation
inferred← citeshttps://doi.org/10.1080/08927020310001631098openalex-snapshot
A Combined First-principles Calculation and Neural Networks Correction Approach for Evaluating Gibbs Energy of Formation
inferred← citeshttps://doi.org/10.1080/10426500903299877openalex-snapshot
Application Des Réseaux de Neurones Avec la Régularisation Bayésienne pour la Modélisation de la Synthèse de l’hydroxyapatite Élaborée à Partir du Carbonate de Calcium et de L’acide Phosphorique
inferred← citeshttps://doi.org/10.1134/s002247661206008xopenalex-snapshot
Estimation and prediction of 13C NMR chemical shifts of carbon atoms in both alcohols and thiols
inferred← citeshttps://doi.org/10.21203/rs.3.rs-20088/v1openalex-snapshot
Quantitative structure-property relationship study of alcohols water solubility based on a new model combined modified autocorrelation method and electro-topological indices
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