| scholarly article | Q13442814 |
| P356 | DOI | 10.1016/J.PNMRS.2007.04.003 |
| P3181 | OpenCitations bibliographic resource ID | 1827830 |
| P50 | author | Antony John Williams | Q4777220 |
| P2093 | author name string | M.E. Elyashberg | |
| G.E. Martin | |||
| P2860 | cites work | A Mathematical Theory of Communication | Q724029 |
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| Applying the constraint satisfaction problem paradigm to structure generation | Q99233869 | ||
| Fully Automated Structure ElucidationA Spectroscopist's Dream Comes True† | Q99233905 | ||
| Principles of the Generation of Constitutional and Configurational Isomers | Q99233909 | ||
| Application of the computer program GENOA and two-dimensional NMR spectroscopy to structure elucidation | Q99234048 | ||
| MOLGEN+, a generator of connectivity isomers and stereoisomers for molecular structure elucidation | Q99300775 | ||
| The guttiferones, HIV-inhibitory benzophenones from Symphonia globulifera, Garcinia livingstonei, Garcinia ovalifolia and Clusia rosea | Q104399462 | ||
| Cryptospirolepine, a Unique Spiro-nonacyclic Alkaloid Isolated from Cryptolepis sanguinolenta | Q104402269 | ||
| The isolation and structure determination of cryptomisrine, a novel indolo[3,2-b]quinoline dimeric alkaloid fromcryptolepis sanguinolenta | Q104939313 | ||
| Norditerpenoid alkaloids from Aconitella hohenackeri | Q104982631 | ||
| Two new indoloquinoline alkaloids fromcryptolepis sanguinolenta: Cryptosanguinolentine and cryptotackieine | Q105011443 | ||
| Applications of artificial intelligence for chemical inference. I. Number of possible organic compounds. Acyclic structures containing carbon, hydrogen, oxygen, and nitrogen | Q105100394 | ||
| Tricyclic sesquiterpenes from rudbeckia laciniata in honour of professor G. H. Neil Towers 75th birthday | Q105112069 | ||
| Isolation and elucidation of the structure of homocryptolepinone | Q105222565 | ||
| Stenocarpine, a diterpenoid alkaloid from Aconitella stenocarpa | Q105240586 | ||
| Detection of connectivity between equivalent carbons in aC2 molecule using isotopomeric asymmetry: Identification of hopeaphenol inCarex pumila | Q105352519 | ||
| Cocon: From NMR Correlation Data to Molecular Constitutions | Q114865788 | ||
| Total assignment of the proton and carbon NMR spectra of the alkaloid quindoline - utilization of HMQC-TOCSY to indirectly establish protonated carbon-protonated carbon connectivities | Q114868797 | ||
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| A new approach to computer-aided molecular structure elucidation: the expert system Structure Elucidator | Q127015789 | ||
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| Simulation of 13C nuclear magnetic resonance spectra of tetrahydropyrans using regression analysis and neural networks | Q127753668 | ||
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| The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics | Q27061829 | ||
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| Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures | Q28090814 | ||
| Automatic generation of 3D-atomic coordinates for organic molecules | Q28096264 | ||
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| SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry | Q28837910 | ||
| Expectation ranges of 13C NMR chemical shifts | Q28837930 | ||
| HOSE — a novel substructure code | Q28837939 | ||
| Stochastic Generator of Chemical Structure. 2. Using Simulated Annealing To Search the Space of Constitutional Isomers | Q28837961 | ||
| Prediction of 1H NMR Chemical Shifts Using Neural Networks | Q28843076 | ||
| Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation | Q28843140 | ||
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| The impact of available experimental data on the prediction of 1H NMR chemical shifts by neural networks | Q30932931 | ||
| Fast determination of 13C NMR chemical shifts using artificial neural networks | Q30949423 | ||
| Structure elucidation from 2D NMR spectra using the StrucEluc expert system: detection and removal of contradictions in the data | Q30965682 | ||
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| Recent developments in automated structure elucidation of natural products | Q35849948 | ||
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| Apramides A-G, novel lipopeptides from the marine cyanobacterium Lyngbya majuscula | Q74290739 | ||
| Malevamide D: isolation and structure determination of an isodolastatin H analogue from the marine cyanobacterium Symploca hydnoides | Q78007365 | ||
| Tasiamide, a cytotoxic peptide from the marine cyanobacterium Symploca sp | Q78288315 | ||
| Structure and Absolute Stereochemistry of Phormidolide, a New Toxic Metabolite from the Marine CyanobacteriumPhormidiumsp. | Q78328995 | ||
| 1H-NMR and 13C-NMR Assignments of Cryptolepine, A 3:4-Benz-delta-carboline Derivative Isolated from Cryptolepis sanguinolenta | Q79554412 | ||
| Computer-assisted constitutional assignment of large molecules: COCON analysis of ascomycin | Q81106227 | ||
| Towards the automatic analysis of NMR spectra: part 6. Confirmation of chemical structure employing both 1H and 13C NMR spectra | Q81633509 | ||
| Mathematical synthesis and analysis of molecular structures | Q99232065 | ||
| Case, a computer model of the structure elucidation process | Q99233261 | ||
| Applications of artificial intelligence for chemical inference. 37. GENOA: a computer program for structure elucidation utilizing overlapping and alternative substructures | Q99233344 | ||
| Computer-Based Structure Determination: Then and Now | Q99233775 | ||
| Using neural networks for (13)c NMR chemical shift prediction-comparison with traditional methods | Q44152677 | ||
| Bioactive natural products from a sclerotium-colonizing isolate of Humicola fuscoatra | Q44224490 | ||
| New cytotoxic indolic metabolites from a marine Streptomyces | Q44492652 | ||
| Applications of a HOUDINI-Based Structure Elucidation System | Q44505637 | ||
| New minor taxane derivatives from the needles of Taxus canadensis | Q44670099 | ||
| Sesquiterpene metabolites of the antarctic gorgonian Dasystenella acanthina | Q44670117 | ||
| The structure of Palau'amide, a potent cytotoxin from a species of the marine cyanobacterium Lyngbya | Q44706379 | ||
| HMBC-RELAY: a combined technique for the differentiation of simultaneously detected 2J(C,H) and (n)J(C,H) connectivities | Q44744049 | ||
| Spasmolytic effects, mode of action, and structure-activity relationships of stilbenoids from Nidema boothii | Q44778518 | ||
| New cembranes from Cleome spinosa | Q44778523 | ||
| Ingenamine G and cyclostellettamines G-I, K, and L from the new Brazilian species of marine sponge Pachychalina sp. | Q45118225 | ||
| Delevoyin C, a tetranortriterpenoid from Entandrophragma delevoyi. | Q46900069 | ||
| Isolation of homodolastatin 16, a new cyclic depsipeptide from a Kenyan collection of Lyngbya majuscula | Q47893825 | ||
| LUCY—A Program for Structure Elucidation from NMR Correlation Experiments | Q50368945 | ||
| Are deterministic expert systems for computer-assisted structure elucidation obsolete? | Q51936977 | ||
| Automated structure verification based on 1H NMR prediction | Q51949712 | ||
| Novel methods of automated structure elucidation based on 13C NMR spectroscopy | Q51987282 | ||
| Structure-based predictions of 1H NMR chemical shifts using feed-forward neural networks | Q51997311 | ||
| HOUDINI: A New Approach to Computer-Based Structure Generation | Q52009004 | ||
| Neural network studies. 4. Introduction to associative neural networks | Q52011959 | ||
| On the use of neural network ensembles in QSAR and QSPR. | Q52036283 | ||
| Automated structure elucidation of organic molecules from (13)c NMR spectra using genetic algorithms and neural networks | Q52049945 | ||
| New Semi-empirical Approach for the Calculation of13C Chemical-Shift Tensors | Q52271652 | ||
| Towards the automatic analysis of 1H NMR spectra: Part 4--additional requirements of flow-NMR. | Q53633970 | ||
| Identification of degradants of a complex alkaloid using NMR cryoprobe technology and ACD/structure elucidator | Q55919639 | ||
| Quindolinocryptotackieine: the elucidation of a novel indoloquinoline alkaloid structure through the use of computer-assisted structure elucidation and 2D NMR | Q55919641 | ||
| Automated structure elucidation - the benefits of a symbiotic relationship between the spectroscopist and the expert system | Q55919643 | ||
| Two‐dimensional spectroscopy. Application to nuclear magnetic resonance | Q56060737 | ||
| Computer-aided determination of relative stereochemistry and 3D models of complex organic molecules from 2D NMR spectra | Q56405106 | ||
| Long-Range 1H–15N Heteronuclear Shift Correlation | Q56405263 | ||
| Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system | Q56405909 | ||
| Elucidation of the structure of quindolinone, a minor alkaloid ofcryptolepis sanguinolenta: Submilligram1H-13c and1H-15N heteronuclear shift correlation experiments using micro inverse-detection | Q56535684 | ||
| Identification of Two Chromenes fromCalea serrataby Semiautomatic Structure Elucidation | Q56604060 | ||
| “Connectivist” approach to organic structure determination Lsd-program assisted Nmr analysis of the insect antifeedant Azadirachtin | Q56953783 | ||
| Validation of Structural Proposals by Substructure Analysis and13C NMR Chemical Shift Prediction | Q57208000 | ||
| The Assignment of Absolute Configuration by NMR | Q57517752 | ||
| 15N NMR Spectroscopy in Structural Analysis | Q57744929 | ||
| Limonoid derivatives from Astrotrichilia voamatata | Q57817907 | ||
| Computer-assisted structural elucidation. Alkaloids with a novel diaza-adamantane skeleton from the seeds of Acosmium panamense (Fabaceae) | Q57817929 | ||
| Clerodane diterpenoids and an ursane triterpenoid from Salvia haenkei. Computer-assisted structural elucidation | Q57817985 | ||
| Computer-aided spectral assignment in nuclear magnetic resonance spectroscopy | Q57818169 | ||
| Logic for structure determination | Q57818172 | ||
| Epothilone A and B—Novel 16-Membered Macrolides with Cytotoxic Activity: Isolation, Crystal Structure, and Conformation in Solution | Q60357921 | ||
| Improved Sensitivity in Gradient-Based 1D and 2D Multiplicity-Edited HSQC Experiments | Q61949457 | ||
| Application of the Maximal Common Substructure Algorithm to Automatic Interpretation of 13C-NMR Spectra | Q63350346 | ||
| The CSEARCH-NMR data base approach to solve frequent questions concerning substituent effects on 13C NMR chemical shifts | Q63350360 | ||
| Comprehensive parameter set for the prediction of the 13C-NMR chemical shifts of sp3-hybridized carbon atoms in organic compounds | Q63350374 | ||
| CSEARCH: a computer program for identification of organic compounds and fully automated assignment of carbon-13 nuclear magnetic resonance spectra | Q63350423 | ||
| Carbon-13 nuclear magnetic resonance assignments and biosynthesis of aflatoxin B1 and sterigmatocystin | Q67769117 | ||
| P433 | issue | 1-2 | |
| P304 | page(s) | 1-104 | |
| P577 | publication date | 2008-07-01 | |
| P1433 | published in | Progress in Nuclear Magnetic Resonance Spectroscopy | Q3407073 |
| P1476 | title | Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation | |
| P478 | volume | 53 |
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