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Automated chemical structure analysis of organic molecules with a molecular structure generator and pattern recognition techniques
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/oms.1210020102openalex-snapshot
Computer‐aided interpretation of mass spectra
inferredcites →https://doi.org/10.1007/bf01217096openalex-snapshot
Automated chemical structure analysis of organic compounds: An attempt to structure determination by the use of NMR
inferredcites →https://doi.org/10.1016/s0021-9673(01)85348-6openalex-snapshot
Major components influencing retention indices in gas chromatography
inferredcites →https://doi.org/10.1021/ac60294a015openalex-snapshot
Computerized learning machines applied to chemical problems. Molecular structure parameters from low resolution mass spectrometry
inferredcites →https://doi.org/10.1021/ac60301a009openalex-snapshot
Identification of mass spectra by computer-searching a file of known spectra
inferredcites →https://doi.org/10.1021/ac60307a027openalex-snapshot
Computer methods in analytical mass spectrometry. Development of programs for analysis of low-resolution mass spectra
inferredcites →https://doi.org/10.1021/ac60311a019openalex-snapshot
Compound classifier based on computer analysis of low-resolution mass spectral data. Geochemical and environmental applications
inferredcites →https://doi.org/10.1021/ac60324a051openalex-snapshot
Prediction of some physical properties of organic molecules by factor analysis of gas chromatographic retention indexes
inferredcites →https://doi.org/10.1021/ac60342a002openalex-snapshot
Structural interpretation of proton magnetic resonance spectra by computer. First-order spectra
inferredcites →https://doi.org/10.1021/ac60344a054openalex-snapshot
Computer System for Structural Identification of Organic Compounds from Spectroscopic Data
inferredcites →https://doi.org/10.1021/c160055a012openalex-snapshot
The Connectivity Stack, a New Format for Representation of Organic Chemical Structures
inferredcites →https://doi.org/10.1021/j100720a013openalex-snapshot
Factor analysis of solvent shifts in proton magnetic resonance
inferredcites →https://doi.org/10.1021/ja00726a019openalex-snapshot
Applications of artificial intelligence for chemical inference. IV. Saturated amines diagnosed by their low resolution mass spectra and nuclear magnetic resonance spectra
inferredcites →https://doi.org/10.1021/ja00799a001openalex-snapshot
Estimation of relative gas phase acidities of substituted benzoic acids from solution measurements by factor analysis
inferredcites →https://doi.org/10.1021/ja00805a012openalex-snapshot
Critical evaluation of molecular mechanics
inferredcites →https://doi.org/10.1021/ja01039a025openalex-snapshot
Applications of artificial intelligence for chemical inference. I. Number of possible organic compounds. Acyclic structures containing carbon, hydrogen, oxygen, and nitrogen
inferredcites →https://doi.org/10.1021/jm00264a017openalex-snapshot
Study of structure-activity relation of a series of diphenylaminopropanols by factor analysis
inferredcites →https://doi.org/10.1021/jo01264a014openalex-snapshot
Alanylactinobicyclone. Application of computer techniques to structure elucidation
inferredcites →https://doi.org/10.1080/10408347408542669openalex-snapshot
Applications of Pattern Recognition to Chemistry
inferredcites →https://doi.org/10.1093/ajcp/56.1.8openalex-snapshot
A Comparison of Automated Methods for Glucose Analysis in Patients with Uremia before and after Dialysis
inferredcites →https://doi.org/10.1093/clinchem/18.10.1041openalex-snapshot
Effects of Drugs on Clinical Laboratory Tests
inferredcites →https://doi.org/10.1093/clinchem/20.5.595openalex-snapshot
Evaluation of the Adaptation of the Glucose Oxidase/Peroxidase-3-Methyl-2-benzothiazolinone hydrazone-N, N-Dimethylaniline Procedure to the Technicon "SMA 12/60," and Comparison with Other Automated Methods for Glucose
inferredcites →https://doi.org/10.2116/bunsekikagaku.21.916openalex-snapshot
Automated identification of paraffines by 13C NMR
inferredcites →https://doi.org/10.3109/10408367309151554openalex-snapshot
Methods for Determining the Amount of Glucose in Blood
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/oms.1210111209openalex-snapshot
Interpretation Automatique des Spectres de Masse de Composes Organiques. Mise au Point
inferred← citeshttps://doi.org/10.1007/bf00552340openalex-snapshot
The importance of multiplicities and substructures for the evaluation of relevant spectral similarities for computer aided interpretation of 13C NMR spectra
inferred← citeshttps://doi.org/10.1016/0039-9140(81)80223-8openalex-snapshot
Interpretation of analytical chemical information by pattern recognition methods—a survey
inferred← citeshttps://doi.org/10.1016/0169-7439(87)80022-9openalex-snapshot
Artificial intelligence used for the interpretation of combined spectral data
inferred← citeshttps://doi.org/10.1016/0169-7439(90)80131-oopenalex-snapshot
AEGIS, an algorithm for the exhaustive generation of irredundant structures
inferred← citeshttps://doi.org/10.1016/s0003-2670(01)83875-7openalex-snapshot
Extraction of information on the chemical structure of monofunctional compounds from retention data in gas—liquid chromatography by pattern recognition methods
inferred← citeshttps://doi.org/10.1016/s0003-2670(01)84182-9openalex-snapshot
Classification of monosubstituted phenyl rings by parametric methods applied to infrared and raman peak heights
inferred← citeshttps://doi.org/10.1016/s0003-2670(01)95415-7openalex-snapshot
Computer-aided structure elucidation methods
inferred← citeshttps://doi.org/10.1016/s0022-0728(80)80509-2openalex-snapshot
Analog feedback linear learning machine applied to the peak height analysis in staircase polarography
inferred← citeshttps://doi.org/10.1021/ac00255a009openalex-snapshot
Structural and activity characterization of organic compounds by electroanalysis and pattern recognition
inferred← citeshttps://doi.org/10.1021/ac00295a006openalex-snapshot
Application of pattern recognition to metal ion chemical ionization mass spectra
inferred← citeshttps://doi.org/10.1021/ac50027a016openalex-snapshot
Mass spectral pattern recognition via techniques of mathematical programming
inferred← citeshttps://doi.org/10.1021/ie990110iopenalex-snapshot
Selection of the Number of Principal Components: The Variance of the Reconstruction Error Criterion with a Comparison to Other Methods
inferred← citeshttps://doi.org/10.1021/jm0311240openalex-snapshot
Incorporating Molecular Shape into the Alignment-free GRid-INdependent Descriptors
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1008504openalex-snapshot
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